 Entering Gaussian System, Link 0=g16
 Input=12_L-valine_conformer13_STD_wB97XD_def2SVPD.in
 Output=12_L-valine_conformer13_STD_wB97XD_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_def2SVPD/Gau-29515.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     29528.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                13-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=12_L-valine_conformer13_STD_wB97XD_def2SVPD
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Aug 13 10:47:06 2021, MaxMem=  5368709120 cpu:               2.0 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "12_L-valine_conformer13_STD_wB97XD_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 2.440615000000      0.153795000000     -0.669675000000
  C                                                 1.139680000000     -0.482678000000     -0.185187000000
  C                                                -0.064388000000      0.433960000000     -0.468576000000
  C                                                -1.393633000000     -0.311348000000     -0.237189000000
  O                                                -2.341078000000      0.435941000000      0.339139000000
  C                                                 1.225474000000     -0.882175000000      1.288520000000
  N                                                -0.086110000000      1.714563000000      0.252336000000
  O                                                -1.573078000000     -1.451319000000     -0.570526000000
  H                                                -0.064405000000      0.666302000000     -1.537552000000
  H                                                 0.955080000000     -1.389343000000     -0.764288000000
  H                                                -1.913463000000      1.308566000000      0.499915000000
  H                                                 0.364571000000      1.641581000000      1.156509000000
  H                                                 0.373024000000      2.450485000000     -0.265418000000
  H                                                 0.304091000000     -1.355802000000      1.629384000000
  H                                                 2.039602000000     -1.591968000000      1.440373000000
  H                                                 1.432706000000     -0.023887000000      1.934977000000
  H                                                 2.391139000000      0.402937000000     -1.732114000000
  H                                                 2.666906000000      1.070641000000     -0.118883000000
  H                                                 3.280277000000     -0.527749000000     -0.525512000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          14          16           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  14.0030740  15.9949146   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           2           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   4.5500000   5.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   7.0000000   8.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Fri Aug 13 10:47:06 2021, MaxMem=  5368709120 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.440615    0.153795   -0.669675
      2          6           0        1.139680   -0.482678   -0.185187
      3          6           0       -0.064388    0.433960   -0.468576
      4          6           0       -1.393633   -0.311348   -0.237189
      5          8           0       -2.341078    0.435941    0.339139
      6          6           0        1.225474   -0.882175    1.288520
      7          7           0       -0.086110    1.714563    0.252336
      8          8           0       -1.573078   -1.451319   -0.570526
      9          1           0       -0.064405    0.666302   -1.537552
     10          1           0        0.955080   -1.389343   -0.764288
     11          1           0       -1.913463    1.308566    0.499915
     12          1           0        0.364571    1.641581    1.156509
     13          1           0        0.373024    2.450485   -0.265418
     14          1           0        0.304091   -1.355802    1.629384
     15          1           0        2.039602   -1.591968    1.440373
     16          1           0        1.432706   -0.023887    1.934977
     17          1           0        2.391139    0.402937   -1.732114
     18          1           0        2.666906    1.070641   -0.118883
     19          1           0        3.280277   -0.527749   -0.525512
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.527173   0.000000
     3  C    2.528631   1.539583   0.000000
     4  C    3.886497   2.539632   1.541401   0.000000
     5  O    4.895089   3.637919   2.415724   1.337253   0.000000
     6  C    2.526723   1.529304   2.546241   3.084372   3.919062
     7  N    3.109733   2.553792   1.469738   2.460400   2.593702
     8  O    4.323882   2.906167   2.416778   1.201186   2.231382
     9  H    2.700185   2.144497   1.093934   2.100855   2.959438
    10  H    2.144071   1.091548   2.109785   2.637491   3.926050
    11  H    4.653969   3.605496   2.263181   1.854095   0.984976
    12  H    3.139811   2.629338   2.069603   2.974493   3.072816
    13  H    3.116591   3.032762   2.073397   3.278658   3.433690
    14  H    3.482713   2.180189   2.782168   2.730796   3.445576
    15  H    2.767815   2.163985   3.489304   4.030050   4.951312
    16  H    2.798511   2.188938   2.868446   3.576189   4.123055
    17  H    1.092381   2.177946   2.761721   4.131525   5.165758
    18  H    1.093246   2.179361   2.826237   4.290905   5.068780
    19  H    1.091017   2.167950   3.480648   4.687792   5.768531
                    6          7          8          9         10
     6  C    0.000000
     7  N    3.088200   0.000000
     8  O    3.407619   3.593186   0.000000
     9  H    3.471059   2.074373   2.774086   0.000000
    10  H    2.131749   3.428095   2.536330   2.421356   0.000000
    11  H    3.908218   1.888213   2.979710   2.825383   4.135875
    12  H    2.669817   1.012901   4.037718   2.897094   3.636573
    13  H    3.774655   1.010175   4.370867   2.234497   3.915602
    14  H    1.090622   3.387574   2.893526   3.775471   2.480842
    15  H    1.090720   4.106486   4.137022   4.288900   2.465314
    16  H    1.094308   2.856622   4.165314   3.843977   3.062455
    17  H    3.483463   3.434409   4.527976   2.477279   2.492232
    18  H    2.805708   2.851585   4.953961   3.104218   3.065684
    19  H    2.763792   4.118929   4.940654   3.692815   2.491164
                   11         12         13         14         15
    11  H    0.000000
    12  H    2.394045   0.000000
    13  H    2.667909   1.635932   0.000000
    14  H    3.645834   3.035057   4.252393   0.000000
    15  H    4.992422   3.652690   4.693467   1.761675   0.000000
    16  H    3.877071   2.126196   3.476662   1.772331   1.752665
    17  H    4.932719   3.739700   3.227451   4.329965   3.764027
    18  H    4.628099   2.693203   2.680921   3.811425   3.148694
    19  H    5.603435   4.004563   4.170090   3.766554   2.556666
                   16         17         18         19
    16  H    0.000000
    17  H    3.814227   0.000000
    18  H    2.634309   1.767595   0.000000
    19  H    3.117916   1.764265   1.759665   0.000000
 Stoichiometry    C5H11NO2
 Framework group  C1[X(C5H11NO2)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 4.90D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.440615    0.153795   -0.669675
      2          6           0        1.139680   -0.482678   -0.185187
      3          6           0       -0.064388    0.433960   -0.468576
      4          6           0       -1.393633   -0.311348   -0.237189
      5          8           0       -2.341078    0.435941    0.339139
      6          6           0        1.225474   -0.882175    1.288520
      7          7           0       -0.086110    1.714563    0.252336
      8          8           0       -1.573078   -1.451319   -0.570526
      9          1           0       -0.064405    0.666302   -1.537552
     10          1           0        0.955080   -1.389343   -0.764288
     11          1           0       -1.913463    1.308566    0.499915
     12          1           0        0.364571    1.641581    1.156509
     13          1           0        0.373024    2.450485   -0.265418
     14          1           0        0.304091   -1.355802    1.629384
     15          1           0        2.039602   -1.591968    1.440373
     16          1           0        1.432706   -0.023887    1.934977
     17          1           0        2.391139    0.402937   -1.732114
     18          1           0        2.666906    1.070641   -0.118883
     19          1           0        3.280277   -0.527749   -0.525512
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.0457750           1.4734547           1.2560050
 Leave Link  202 at Fri Aug 13 10:47:07 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     16     17     18
 Centers:      19
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 5 1.00
     Exponent=  1.7128415853D+03 Coefficients= -5.3934125305D-03
     Exponent=  2.5764812677D+02 Coefficients= -4.0221581118D-02
     Exponent=  5.8458245853D+01 Coefficients= -1.7931144990D-01
     Exponent=  1.6198367905D+01 Coefficients= -4.6376317823D-01
     Exponent=  5.0052600809D+00 Coefficients= -4.4171422662D-01
 S 1 1.00
     Exponent=  5.8731856571D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.8764592253D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.6171241529D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.3571470233D+01 Coefficients= -4.0072398852D-02
     Exponent=  2.9257372874D+00 Coefficients= -2.1807045028D-01
     Exponent=  7.9927750754D-01 Coefficients= -5.1294466049D-01
 P 1 1.00
     Exponent=  2.1954348034D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.0000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.6697708112D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      8
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   270 symmetry adapted cartesian basis functions of A   symmetry.
 There are   254 symmetry adapted basis functions of A   symmetry.
   254 basis functions,   372 primitive gaussians,   270 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       408.5379247680 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0124433717 Hartrees.
 Nuclear repulsion after empirical dispersion term =      408.5254813963 Hartrees.
 Leave Link  301 at Fri Aug 13 10:47:08 2021, MaxMem=  5368709120 cpu:               6.9 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   254 RedAO= T EigKep=  3.77D-05  NBF=   254
 NBsUse=   254 1.00D-06 EigRej= -1.00D+00 NBFU=   254
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   270   270   270   270   270 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Fri Aug 13 10:47:09 2021, MaxMem=  5368709120 cpu:               3.4 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Aug 13 10:47:09 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "12_L-valine_conformer13_STD_wB97XD_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Aug 13 10:47:10 2021, MaxMem=  5368709120 cpu:               3.1 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368558415 LenY=  5368485074
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -401.988662686510    
 DIIS: error= 3.67D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -401.988662686510     IErMin= 1 ErrMin= 3.67D-03
 ErrMax= 3.67D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.15D-02 BMatP= 1.15D-02
 IDIUse=3 WtCom= 9.63D-01 WtEn= 3.67D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.412 Goal=   None    Shift=    0.000
 GapD=    0.412 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=4.27D-03 MaxDP=1.28D-01              OVMax= 1.40D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.27D-03    CP:  1.01D+00
 E= -401.997940487783     Delta-E=       -0.009277801273 Rises=F Damp=F
 DIIS: error= 7.23D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -401.997940487783     IErMin= 2 ErrMin= 7.23D-04
 ErrMax= 7.23D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.97D-04 BMatP= 1.15D-02
 IDIUse=3 WtCom= 9.93D-01 WtEn= 7.23D-03
 Coeff-Com: -0.685D-02 0.101D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.680D-02 0.101D+01
 Gap=     0.411 Goal=   None    Shift=    0.000
 RMSDP=6.98D-04 MaxDP=2.24D-02 DE=-9.28D-03 OVMax= 6.38D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  4.20D-04    CP:  1.01D+00  1.13D+00
 E= -401.998257952963     Delta-E=       -0.000317465180 Rises=F Damp=F
 DIIS: error= 8.17D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -401.998257952963     IErMin= 2 ErrMin= 7.23D-04
 ErrMax= 8.17D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.08D-04 BMatP= 3.97D-04
 IDIUse=3 WtCom= 9.92D-01 WtEn= 8.17D-03
 Coeff-Com: -0.481D-01 0.478D+00 0.570D+00
 Coeff-En:   0.000D+00 0.553D-01 0.945D+00
 Coeff:     -0.477D-01 0.475D+00 0.573D+00
 Gap=     0.407 Goal=   None    Shift=    0.000
 RMSDP=1.15D-04 MaxDP=4.52D-03 DE=-3.17D-04 OVMax= 2.79D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  8.50D-05    CP:  1.01D+00  1.15D+00  1.01D+00
 E= -401.998468443237     Delta-E=       -0.000210490274 Rises=F Damp=F
 DIIS: error= 1.05D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -401.998468443237     IErMin= 4 ErrMin= 1.05D-04
 ErrMax= 1.05D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.63D-06 BMatP= 3.08D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.05D-03
 Coeff-Com: -0.147D-01 0.847D-01 0.164D+00 0.766D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.147D-01 0.846D-01 0.163D+00 0.767D+00
 Gap=     0.407 Goal=   None    Shift=    0.000
 RMSDP=5.90D-05 MaxDP=4.21D-03 DE=-2.10D-04 OVMax= 7.66D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.32D-05    CP:  1.01D+00  1.15D+00  1.09D+00  1.17D+00
 E= -401.998475945979     Delta-E=       -0.000007502741 Rises=F Damp=F
 DIIS: error= 5.01D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -401.998475945979     IErMin= 5 ErrMin= 5.01D-05
 ErrMax= 5.01D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.70D-06 BMatP= 8.63D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.173D-02-0.382D-01-0.333D-01 0.294D+00 0.776D+00
 Coeff:      0.173D-02-0.382D-01-0.333D-01 0.294D+00 0.776D+00
 Gap=     0.407 Goal=   None    Shift=    0.000
 RMSDP=1.98D-05 MaxDP=1.02D-03 DE=-7.50D-06 OVMax= 3.20D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.20D-05    CP:  1.01D+00  1.16D+00  1.12D+00  1.23D+00  1.03D+00
 E= -401.998477663922     Delta-E=       -0.000001717943 Rises=F Damp=F
 DIIS: error= 1.01D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -401.998477663922     IErMin= 6 ErrMin= 1.01D-05
 ErrMax= 1.01D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.38D-08 BMatP= 1.70D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.120D-02-0.174D-01-0.180D-01 0.775D-01 0.279D+00 0.678D+00
 Coeff:      0.120D-02-0.174D-01-0.180D-01 0.775D-01 0.279D+00 0.678D+00
 Gap=     0.407 Goal=   None    Shift=    0.000
 RMSDP=4.64D-06 MaxDP=3.78D-04 DE=-1.72D-06 OVMax= 1.15D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.99D-06    CP:  1.01D+00  1.16D+00  1.13D+00  1.24D+00  1.09D+00
                    CP:  1.15D+00
 E= -401.998477741453     Delta-E=       -0.000000077531 Rises=F Damp=F
 DIIS: error= 4.96D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -401.998477741453     IErMin= 7 ErrMin= 4.96D-06
 ErrMax= 4.96D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.75D-08 BMatP= 8.38D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.227D-03-0.133D-02-0.190D-02-0.145D-01-0.568D-02 0.300D+00
 Coeff-Com:  0.723D+00
 Coeff:      0.227D-03-0.133D-02-0.190D-02-0.145D-01-0.568D-02 0.300D+00
 Coeff:      0.723D+00
 Gap=     0.407 Goal=   None    Shift=    0.000
 RMSDP=2.07D-06 MaxDP=2.03D-04 DE=-7.75D-08 OVMax= 7.25D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.11D-06    CP:  1.01D+00  1.16D+00  1.13D+00  1.25D+00  1.12D+00
                    CP:  1.26D+00  1.21D+00
 E= -401.998477760959     Delta-E=       -0.000000019506 Rises=F Damp=F
 DIIS: error= 2.08D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -401.998477760959     IErMin= 8 ErrMin= 2.08D-06
 ErrMax= 2.08D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.90D-09 BMatP= 1.75D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.690D-04 0.196D-02 0.195D-02-0.177D-01-0.430D-01 0.238D-01
 Coeff-Com:  0.327D+00 0.706D+00
 Coeff:     -0.690D-04 0.196D-02 0.195D-02-0.177D-01-0.430D-01 0.238D-01
 Coeff:      0.327D+00 0.706D+00
 Gap=     0.407 Goal=   None    Shift=    0.000
 RMSDP=1.02D-06 MaxDP=1.14D-04 DE=-1.95D-08 OVMax= 2.64D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  4.94D-07    CP:  1.01D+00  1.16D+00  1.13D+00  1.25D+00  1.13D+00
                    CP:  1.31D+00  1.35D+00  1.22D+00
 E= -401.998477764125     Delta-E=       -0.000000003165 Rises=F Damp=F
 DIIS: error= 4.68D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -401.998477764125     IErMin= 9 ErrMin= 4.68D-07
 ErrMax= 4.68D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.56D-10 BMatP= 2.90D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.556D-04 0.926D-03 0.994D-03-0.518D-02-0.161D-01-0.367D-01
 Coeff-Com:  0.316D-01 0.263D+00 0.761D+00
 Coeff:     -0.556D-04 0.926D-03 0.994D-03-0.518D-02-0.161D-01-0.367D-01
 Coeff:      0.316D-01 0.263D+00 0.761D+00
 Gap=     0.407 Goal=   None    Shift=    0.000
 RMSDP=5.16D-07 MaxDP=6.49D-05 DE=-3.17D-09 OVMax= 1.05D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.58D-07    CP:  1.01D+00  1.16D+00  1.13D+00  1.25D+00  1.13D+00
                    CP:  1.33D+00  1.44D+00  1.40D+00  1.31D+00
 E= -401.998477764541     Delta-E=       -0.000000000416 Rises=F Damp=F
 DIIS: error= 1.23D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -401.998477764541     IErMin=10 ErrMin= 1.23D-07
 ErrMax= 1.23D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.86D-11 BMatP= 2.56D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.820D-05 0.402D-04 0.423D-04 0.523D-03 0.490D-03-0.110D-01
 Coeff-Com: -0.229D-01-0.151D-01 0.176D+00 0.872D+00
 Coeff:     -0.820D-05 0.402D-04 0.423D-04 0.523D-03 0.490D-03-0.110D-01
 Coeff:     -0.229D-01-0.151D-01 0.176D+00 0.872D+00
 Gap=     0.407 Goal=   None    Shift=    0.000
 RMSDP=1.43D-07 MaxDP=1.55D-05 DE=-4.16D-10 OVMax= 4.05D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  4.60D-08    CP:  1.01D+00  1.16D+00  1.13D+00  1.25D+00  1.13D+00
                    CP:  1.33D+00  1.46D+00  1.46D+00  1.42D+00  1.13D+00
 E= -401.998477764559     Delta-E=       -0.000000000018 Rises=F Damp=F
 DIIS: error= 6.23D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -401.998477764559     IErMin=11 ErrMin= 6.23D-08
 ErrMax= 6.23D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.72D-12 BMatP= 1.86D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.476D-05-0.108D-03-0.124D-03 0.864D-03 0.232D-02 0.147D-02
 Coeff-Com: -0.111D-01-0.398D-01-0.406D-01 0.274D+00 0.813D+00
 Coeff:      0.476D-05-0.108D-03-0.124D-03 0.864D-03 0.232D-02 0.147D-02
 Coeff:     -0.111D-01-0.398D-01-0.406D-01 0.274D+00 0.813D+00
 Gap=     0.407 Goal=   None    Shift=    0.000
 RMSDP=5.21D-08 MaxDP=5.75D-06 DE=-1.84D-11 OVMax= 1.45D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.61D-08    CP:  1.01D+00  1.16D+00  1.13D+00  1.25D+00  1.13D+00
                    CP:  1.33D+00  1.47D+00  1.48D+00  1.48D+00  1.22D+00
                    CP:  1.17D+00
 E= -401.998477764553     Delta-E=        0.000000000006 Rises=F Damp=F
 DIIS: error= 1.79D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -401.998477764559     IErMin=12 ErrMin= 1.79D-08
 ErrMax= 1.79D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.22D-13 BMatP= 2.72D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.190D-05-0.300D-04-0.345D-04 0.155D-03 0.498D-03 0.137D-02
 Coeff-Com: -0.490D-03-0.811D-02-0.252D-01-0.190D-01 0.183D+00 0.868D+00
 Coeff:      0.190D-05-0.300D-04-0.345D-04 0.155D-03 0.498D-03 0.137D-02
 Coeff:     -0.490D-03-0.811D-02-0.252D-01-0.190D-01 0.183D+00 0.868D+00
 Gap=     0.407 Goal=   None    Shift=    0.000
 RMSDP=1.06D-08 MaxDP=8.06D-07 DE= 6.03D-12 OVMax= 5.66D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  5.45D-09    CP:  1.01D+00  1.16D+00  1.13D+00  1.25D+00  1.13D+00
                    CP:  1.33D+00  1.47D+00  1.48D+00  1.49D+00  1.24D+00
                    CP:  1.26D+00  1.13D+00
 E= -401.998477764572     Delta-E=       -0.000000000018 Rises=F Damp=F
 DIIS: error= 8.89D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -401.998477764572     IErMin=13 ErrMin= 8.89D-09
 ErrMax= 8.89D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.46D-14 BMatP= 2.22D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.396D-06 0.109D-04 0.123D-04-0.966D-04-0.252D-03-0.309D-04
 Coeff-Com:  0.141D-02 0.436D-02 0.283D-02-0.391D-01-0.977D-01 0.112D+00
 Coeff-Com:  0.102D+01
 Coeff:     -0.396D-06 0.109D-04 0.123D-04-0.966D-04-0.252D-03-0.309D-04
 Coeff:      0.141D-02 0.436D-02 0.283D-02-0.391D-01-0.977D-01 0.112D+00
 Coeff:      0.102D+01
 Gap=     0.407 Goal=   None    Shift=    0.000
 RMSDP=4.06D-09 MaxDP=2.02D-07 DE=-1.84D-11 OVMax= 2.94D-07

 SCF Done:  E(RwB97XD) =  -401.998477765     A.U. after   13 cycles
            NFock= 13  Conv=0.41D-08     -V/T= 2.0106
 KE= 3.977809669011D+02 PE=-1.753534597016D+03 EE= 5.452296709540D+02
 Leave Link  502 at Fri Aug 13 10:48:52 2021, MaxMem=  5368709120 cpu:             809.1 elap:             101.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   254
 NBasis=   254 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    254 NOA=    32 NOB=    32 NVA=   222 NVB=   222

 **** Warning!!: The largest alpha MO coefficient is  0.34547088D+02

 Leave Link  801 at Fri Aug 13 10:48:52 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5761 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.18D-13 8.33D-09 XBig12= 1.00D+00 2.37D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.18D-13 8.33D-09 XBig12= 1.70D-01 6.06D-02.
     11 vectors produced by pass  2 Test12= 1.18D-13 8.33D-09 XBig12= 2.37D-02 3.90D-02.
     11 vectors produced by pass  3 Test12= 1.18D-13 8.33D-09 XBig12= 1.74D-03 1.02D-02.
     11 vectors produced by pass  4 Test12= 1.18D-13 8.33D-09 XBig12= 1.08D-04 2.34D-03.
     11 vectors produced by pass  5 Test12= 1.18D-13 8.33D-09 XBig12= 3.18D-06 2.95D-04.
     11 vectors produced by pass  6 Test12= 1.18D-13 8.33D-09 XBig12= 1.13D-07 5.07D-05.
     11 vectors produced by pass  7 Test12= 1.18D-13 8.33D-09 XBig12= 2.63D-09 8.30D-06.
     11 vectors produced by pass  8 Test12= 1.18D-13 8.33D-09 XBig12= 4.66D-11 1.31D-06.
      8 vectors produced by pass  9 Test12= 1.18D-13 8.33D-09 XBig12= 5.94D-13 1.21D-07.
      2 vectors produced by pass 10 Test12= 1.18D-13 8.33D-09 XBig12= 8.83D-15 1.29D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension   109 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.843152D+02
      2  0.664052D-01  0.789535D+02
      3 -0.189115D+01  0.143563D+01  0.694149D+02
 Isotropic polarizability for W=    0.088559       77.56 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.706444D+02 -0.710149D+01 -0.233886D+01
      2  -0.399407D+02  0.722474D+01 -0.693175D+00
      3  -0.307036D+02 -0.123255D+00  0.303204D+01
      4  -0.492408D+01  0.362804D+02 -0.205831D+02
      5   0.503319D+01 -0.225310D+02  0.715618D+02
      6  -0.881206D+01  0.668040D+01 -0.396436D+00
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.585712D+00 -0.363496D+00  0.127229D+01
      2   0.252942D+01 -0.791850D+01  0.327267D+02
      3   0.570618D+01 -0.161882D+02  0.837230D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.194787D+01  0.737357D+01  0.273181D+00
      2  -0.737205D+01 -0.117711D+02  0.102265D+03
      3   0.217741D+01 -0.762211D+02  0.137189D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.260069D+00 -0.541292D+00 -0.143829D+01
      2  -0.541292D+00  0.153624D+01 -0.879089D+00
      3  -0.143829D+01 -0.879089D+00 -0.236662D+00
 OR G Eigenvalues:    -1.9750     1.1144     1.9001  Iso=    -0.3465
 Eigenvectors:
   (1)   0.667300   0.276060   0.691739
   (2)   0.743782  -0.295282  -0.599664
   (3)   0.038715   0.914658  -0.402370
 w=    0.088559 a.u., Optical Rotation Beta=     -0.3465 au.
 Molar Mass =    117.1474 grams/mole, [Alpha] ( 5145.0 A) =     -149.99 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   32385 ScalPx= 7.37D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   32385 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.23D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.97D-14 2.78D-09 XBig12= 1.00D+00 2.42D-01.
     30 vectors produced by pass  1 Test12= 1.97D-14 2.78D-09 XBig12= 3.71D-02 3.55D-02.
     30 vectors produced by pass  2 Test12= 1.97D-14 2.78D-09 XBig12= 1.77D-03 7.74D-03.
     30 vectors produced by pass  3 Test12= 1.97D-14 2.78D-09 XBig12= 2.37D-05 8.55D-04.
     30 vectors produced by pass  4 Test12= 1.97D-14 2.78D-09 XBig12= 2.29D-07 6.00D-05.
     30 vectors produced by pass  5 Test12= 1.97D-14 2.78D-09 XBig12= 1.78D-09 5.94D-06.
     30 vectors produced by pass  6 Test12= 1.97D-14 2.78D-09 XBig12= 1.20D-11 4.24D-07.
     30 vectors produced by pass  7 Test12= 1.97D-14 2.78D-09 XBig12= 7.50D-14 3.18D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.89D-15
 Solved reduced A of dimension   240 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   32385 ScalPx= 3.05D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   32385 ScalPx= 3.05D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   32385 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.82D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.843152D+02  0.664052D-01 -0.189115D+01
      2   0.664052D-01  0.789535D+02  0.143563D+01
      3  -0.189115D+01  0.143563D+01  0.694149D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.585712D+00 -0.363496D+00  0.127229D+01
      2   0.252942D+01 -0.791850D+01  0.327267D+02
      3   0.570618D+01 -0.161882D+02  0.837230D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.706444D+02 -0.710149D+01 -0.233886D+01
      2  -0.399407D+02  0.722474D+01 -0.693175D+00
      3  -0.307036D+02 -0.123255D+00  0.303204D+01
      4  -0.492408D+01  0.362804D+02 -0.205831D+02
      5   0.503319D+01 -0.225310D+02  0.715618D+02
      6  -0.881206D+01  0.668040D+01 -0.396436D+00
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.951428D+00  0.382495D+01 -0.221522D+01  0.438597D+01 -0.280547D+01
      2   0.382495D+01 -0.238782D+01 -0.968543D+00 -0.280547D+01 -0.208004D+01
      3  -0.221522D+01 -0.968543D+00  0.594884D+00 -0.865179D+00 -0.207247D+01
                 6             7             8             9            10 
      1  -0.865179D+00 -0.235695D+01 -0.555656D+00 -0.261918D+00  0.193219D+01
      2  -0.207247D+01 -0.555656D+00 -0.204897D+01 -0.287992D+01 -0.339969D+01
      3  -0.256373D+01 -0.261918D+00 -0.287992D+01  0.598275D+01  0.250773D+01
                11            12            13            14            15 
      1  -0.339969D+01  0.250773D+01 -0.455327D+01  0.163669D+01  0.944272D+00
      2   0.171348D+01  0.110797D+01  0.163669D+01  0.240687D+01  0.230517D+01
      3   0.110797D+01 -0.258832D+00  0.944272D+00  0.230517D+01  0.300788D+01
                16            17            18            19            20 
      1   0.282274D+01  0.717845D+00 -0.501067D-01 -0.908576D+00  0.318467D+01
      2   0.717845D+00  0.203502D+01  0.340622D+01  0.318467D+01 -0.685108D+00
      3  -0.501067D-01  0.340622D+01 -0.361148D+01 -0.572149D+00 -0.175308D+00
                21            22            23            24            25 
      1  -0.572149D+00  0.378780D+01  0.624080D-01  0.241273D+00 -0.657865D+00
      2  -0.175308D+00  0.624080D-01 -0.192425D+01 -0.986173D+00  0.729512D+00
      3   0.306463D-01  0.241273D+00 -0.986173D+00 -0.117988D+01  0.594480D-01
                26            27            28            29            30 
      1   0.729512D+00  0.594480D-01 -0.150277D+01 -0.213526D+01 -0.296376D+00
      2  -0.918893D+00 -0.210347D+01 -0.213526D+01  0.494632D+00  0.713741D+00
      3  -0.210347D+01  0.538850D+01 -0.296376D+00  0.713741D+00 -0.783344D-01
                31            32            33            34            35 
      1  -0.887784D-01  0.167432D+01  0.876056D+00  0.348743D-02  0.111733D+01
      2   0.167432D+01  0.548779D+01  0.163106D+01  0.111733D+01  0.197906D+01
      3   0.876056D+00  0.163106D+01  0.899656D+00  0.320988D+00  0.856864D+00
                36            37            38            39            40 
      1   0.320988D+00 -0.798773D+01  0.129255D+01  0.146855D+01 -0.206175D+01
      2   0.856864D+00  0.129255D+01 -0.212843D+01 -0.568244D+00 -0.352954D+01
      3   0.408383D-01  0.146855D+01 -0.568244D+00 -0.118706D+01 -0.154631D+00
                41            42            43            44            45 
      1  -0.352954D+01 -0.154631D+00  0.135757D+01 -0.745862D+00 -0.192767D+01
      2  -0.144411D+01 -0.251865D+00 -0.745862D+00 -0.604880D+00  0.635890D+00
      3  -0.251865D+00 -0.826382D-02 -0.192767D+01  0.635890D+00  0.190076D+01
                46            47            48            49            50 
      1   0.469701D+00  0.449405D+01 -0.280690D+01  0.446723D+01 -0.179520D+01
      2   0.449405D+01 -0.200277D+01 -0.811990D+00 -0.179520D+01 -0.528760D+00
      3  -0.280690D+01 -0.811990D+00  0.393277D+00 -0.899001D+00 -0.278134D+01
                51            52            53            54            55 
      1  -0.899001D+00 -0.211151D+01 -0.866292D+00  0.318868D+00 -0.980253D+00
      2  -0.278134D+01 -0.866292D+00 -0.224380D+01 -0.308559D+01 -0.119014D+01
      3  -0.242578D+01  0.318868D+00 -0.308559D+01  0.238085D+01 -0.902299D-01
                56            57            58            59            60 
      1  -0.119014D+01 -0.902299D-01 -0.106294D+01 -0.257021D+01  0.179886D+00
      2  -0.278323D+01  0.231211D+00 -0.257021D+01  0.207768D+01  0.203767D+01
      3   0.231211D+00 -0.200279D+01  0.179886D+00  0.203767D+01  0.811416D-01
                61            62            63            64            65 
      1   0.939373D-01  0.438003D+00 -0.224244D+01 -0.177803D+01 -0.277014D+01
      2   0.438003D+00  0.225118D+01  0.347356D+00 -0.277014D+01 -0.197965D+01
      3  -0.224244D+01  0.347356D+00 -0.219510D+01 -0.976180D+00 -0.889102D+00
                66            67            68            69            70 
      1  -0.976180D+00 -0.429657D+01 -0.240227D+01 -0.657331D+00 -0.148544D+01
      2  -0.889102D+00 -0.240227D+01 -0.118516D+02 -0.231474D+01 -0.695904D+00
      3  -0.564723D+00 -0.657331D+00 -0.231474D+01 -0.278104D+01 -0.110935D+01
                71            72            73            74            75 
      1  -0.695904D+00 -0.110935D+01  0.309032D+00 -0.257189D+00 -0.106249D+01
      2  -0.187246D+01 -0.321491D+01 -0.257189D+00  0.987880D-01  0.509142D-01
      3  -0.321491D+01 -0.256729D+01 -0.106249D+01  0.509142D-01 -0.228409D-01
                76            77            78            79            80 
      1  -0.523850D+00 -0.564813D-01  0.158717D+00 -0.186974D+01 -0.682476D-01
      2  -0.564813D-01  0.146315D+01 -0.123558D+01 -0.682476D-01 -0.168714D+01
      3   0.158717D+00 -0.123558D+01  0.124872D+01 -0.193837D+00  0.178021D+01
                81            82            83            84            85 
      1  -0.193837D+00 -0.973321D+00 -0.405167D+00 -0.108858D+01 -0.920666D+00
      2   0.178021D+01 -0.405167D+00 -0.267757D+00 -0.875474D-01 -0.373711D+00
      3  -0.772919D+01 -0.108858D+01 -0.875474D-01 -0.201342D+00 -0.183076D+00
                86            87            88            89            90 
      1  -0.373711D+00 -0.183076D+00 -0.159602D+01 -0.195544D+00 -0.456247D-01
      2  -0.551504D+01 -0.221822D+01 -0.195544D+00 -0.225967D+01 -0.221970D+01
      3  -0.221822D+01 -0.256825D+01 -0.456247D-01 -0.221970D+01 -0.216852D+01
                91            92            93            94            95 
      1   0.144493D+01  0.197463D+01  0.523081D-01  0.460716D+01  0.441931D+00
      2   0.197463D+01  0.596828D+00  0.218206D+00  0.441931D+00  0.425928D+01
      3   0.523081D-01  0.218206D+00 -0.256935D+00 -0.391170D+00  0.982008D+00
                96            97            98            99           100 
      1  -0.391170D+00  0.691238D+00 -0.578410D-01 -0.705797D+00  0.486901D-01
      2   0.982008D+00 -0.578410D-01  0.895423D+00  0.635481D+00  0.853403D+00
      3   0.109086D+01 -0.705797D+00  0.635481D+00  0.857221D+00  0.816083D+00
               101           102           103           104           105 
      1   0.853403D+00  0.816083D+00  0.912168D+00 -0.165523D+00  0.452583D+00
      2   0.516544D+00  0.605306D+00 -0.165523D+00  0.974988D+00  0.383337D+00
      3   0.605306D+00  0.149827D+01  0.452583D+00  0.383337D+00  0.317710D+00
               106           107           108           109           110 
      1   0.193092D+01  0.216431D+00  0.163509D+01  0.108486D+01  0.158892D+01
      2   0.216431D+00  0.181599D+01  0.933736D+00  0.158892D+01  0.279643D+01
      3   0.163509D+01  0.933736D+00  0.476912D+01 -0.308560D+00 -0.521941D+00
               111           112           113           114           115 
      1  -0.308560D+00  0.226262D+01  0.228564D+01 -0.550767D+00 -0.106139D+01
      2  -0.521941D+00  0.228564D+01  0.591744D+01 -0.121687D+01 -0.906102D+00
      3   0.627190D+00 -0.550767D+00 -0.121687D+01  0.127166D+01  0.685443D+00
               116           117           118           119           120 
      1  -0.906102D+00  0.685443D+00 -0.466906D+01 -0.194860D+01  0.169157D+01
      2  -0.262087D+01  0.141834D+01 -0.194860D+01 -0.173734D+01  0.130876D+01
      3   0.141834D+01 -0.111904D+01  0.169157D+01  0.130876D+01 -0.266383D+01
               121           122           123           124           125 
      1  -0.215364D+01 -0.108384D+01  0.803788D+00  0.126787D+01  0.771881D+00
      2  -0.108384D+01 -0.205494D+01  0.148335D+01  0.771881D+00  0.110516D+01
      3   0.803788D+00  0.148335D+01 -0.118915D+01 -0.142478D+01 -0.732124D+00
               126           127           128           129           130 
      1  -0.142478D+01  0.457379D+01 -0.317474D+01  0.172593D+01 -0.315862D+01
      2  -0.732124D+00 -0.317474D+01  0.315022D+01 -0.111517D+01  0.277515D+01
      3   0.159588D+01  0.172593D+01 -0.111517D+01  0.176946D+01 -0.934937D+00
               131           132           133           134           135 
      1   0.277515D+01 -0.934937D+00  0.774482D+00 -0.503426D+00  0.100500D+01
      2  -0.401147D+01  0.173546D+01 -0.503426D+00  0.945623D+00 -0.697968D+00
      3   0.173546D+01 -0.128122D+01  0.100500D+01 -0.697968D+00  0.692859D+00
               136           137           138           139           140 
      1   0.946919D+00  0.406171D-01  0.123438D+01  0.736869D+00  0.742585D+00
      2   0.406171D-01  0.982087D+00  0.333299D+00  0.742585D+00  0.308008D+01
      3   0.123438D+01  0.333299D+00  0.105134D+01  0.649503D+00  0.196845D+01
               141           142           143           144           145 
      1   0.649503D+00  0.120981D+01  0.199479D+00  0.765031D+00  0.130668D+00
      2   0.196845D+01  0.199479D+00  0.203371D+01  0.179688D+01 -0.100780D+00
      3   0.343515D+01  0.765031D+00  0.179688D+01  0.386207D+01 -0.775142D+00
               146           147           148           149           150 
      1  -0.100780D+00 -0.775142D+00 -0.240862D-01  0.607883D+00 -0.245380D+00
      2   0.100118D+00  0.106969D+00  0.607883D+00  0.102505D+01 -0.114597D+01
      3   0.106969D+00 -0.419755D-01 -0.245380D+00 -0.114597D+01  0.165336D+01
               151           152           153           154           155 
      1  -0.203825D+01 -0.315236D+00  0.166405D+01  0.126659D+01  0.980506D+00
      2  -0.315236D+00 -0.147869D+01  0.191272D+01  0.980506D+00  0.131555D+01
      3   0.166405D+01  0.191272D+01 -0.874644D+01  0.725770D+00  0.410237D+00
               156           157           158           159           160 
      1   0.725770D+00  0.230873D+01  0.197705D+01  0.281954D+00  0.194111D+01
      2   0.410237D+00  0.197705D+01  0.504507D+01  0.141155D+01  0.811194D+00
      3   0.322874D+00  0.281954D+00  0.141155D+01  0.177573D+01  0.550468D+00
               161           162           163           164           165 
      1   0.811194D+00  0.550468D+00  0.754381D+01 -0.285258D+01 -0.304927D-01
      2   0.218301D+01  0.147709D+01 -0.285258D+01  0.220744D+01  0.512400D-01
      3   0.147709D+01  0.104563D+01 -0.304927D-01  0.512400D-01  0.990729D+00
               166           167           168           169           170 
      1  -0.462439D+01  0.257857D+01  0.293442D+00  0.108400D+01 -0.915638D-01
      2   0.257857D+01 -0.232715D+01  0.285177D+00 -0.915638D-01  0.491197D+00
      3   0.293442D+00  0.285177D+00 -0.784552D+00  0.957131D+00 -0.267098D+00
               171 
      1   0.957131D+00
      2  -0.267098D+00
      3  -0.379433D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.280525D+01  0.224014D+01  0.997406D+00  0.273246D+01  0.208324D+01
      2  -0.708448D+01  0.734918D+00  0.105484D+01  0.159853D+01 -0.830856D+01
      3  -0.112384D+02  0.574561D+01  0.279154D+01  0.121460D+02  0.692359D+01
                 6             7             8             9            10 
      1   0.393964D+00  0.181423D+01  0.415404D+01  0.123706D+00  0.320655D+01
      2  -0.815056D+01 -0.613403D+01 -0.894418D+01  0.170191D+02  0.674067D+01
      3   0.528805D+01  0.954885D+00  0.617350D+01  0.780582D+01  0.419778D+01
                11            12            13            14            15 
      1  -0.478202D+00 -0.159877D+00 -0.415451D+00  0.316923D+01 -0.270739D+01
      2  -0.102485D+01  0.382863D+01 -0.186192D+01  0.390403D+01  0.342166D+01
      3  -0.277879D+01 -0.152735D+01  0.396199D+01 -0.561707D+01 -0.483782D+01
                16            17            18            19            20 
      1  -0.846132D-01  0.399286D+01 -0.269812D+01 -0.330196D+01  0.733937D+00
      2  -0.375051D+01  0.392612D+01 -0.328646D+01 -0.140757D+01  0.126495D+01
      3  -0.201381D+01 -0.390907D+01 -0.397057D+01  0.167710D+01 -0.458391D+01
                21            22            23            24            25 
      1  -0.113897D+01  0.567630D+00  0.688054D+00  0.877753D+00 -0.162149D+01
      2   0.138351D+01  0.467434D+01 -0.204050D+01  0.253671D+01 -0.319789D+01
      3   0.576428D+00  0.135772D+01 -0.292717D+01  0.133013D+01 -0.982464D+00
                26            27            28            29            30 
      1   0.524484D+01  0.645462D+00  0.124346D+01  0.990682D+00  0.484599D+00
      2   0.111018D+01 -0.238925D+01 -0.512890D+01  0.580405D+00 -0.490522D+01
      3   0.105041D+01  0.479770D+00 -0.708214D+01  0.252462D-01 -0.131682D+01
                31            32            33            34            35 
      1   0.265142D+01 -0.558849D+01  0.685722D+01  0.135003D+01  0.665924D+01
      2   0.569671D+01 -0.164618D+00 -0.277134D+01 -0.168987D+02 -0.287367D+01
      3   0.624596D+00  0.120858D+02 -0.237494D-01 -0.297967D+01 -0.285226D+00
                36            37            38            39            40 
      1   0.519319D+01 -0.152813D+01 -0.248010D+01  0.220709D+01 -0.181980D+01
      2   0.324036D+01  0.671099D+00  0.239901D+01  0.876374D+01  0.180341D+01
      3   0.106505D+01 -0.395718D+01 -0.145489D+02 -0.128307D+01 -0.112071D+02
                41            42            43            44            45 
      1  -0.165993D+01 -0.371878D+01  0.105523D+00  0.221640D+01 -0.143799D+01
      2   0.188838D+01  0.775785D+00  0.604746D+01  0.258710D+00 -0.521027D+01
      3  -0.107265D+02 -0.114679D+01 -0.384015D+00 -0.592694D-02  0.944631D+00
                46            47            48            49            50 
      1   0.401398D+01 -0.393403D+01 -0.956826D+00 -0.318058D+01 -0.414314D+01
      2  -0.541946D+01 -0.910909D+01  0.900943D+01 -0.752241D+01 -0.151935D+01
      3  -0.718193D+01 -0.460047D+01  0.498793D+01 -0.123582D+01  0.388874D+01
                51            52            53            54            55 
      1  -0.112802D+02 -0.134056D+01 -0.634234D+01 -0.184737D+01  0.343810D+00
      2  -0.243831D+01  0.228831D+01 -0.281911D+01  0.173680D+01  0.646095D+00
      3   0.472099D+01  0.382431D+01  0.451209D+01  0.390431D+01 -0.351118D+01
                56            57            58            59            60 
      1  -0.298546D+01  0.596337D+01 -0.292029D+01 -0.734050D+01 -0.426741D+01
      2   0.191851D+01  0.595640D+01 -0.230642D+00  0.169738D+00 -0.126763D+01
      3  -0.103382D+02 -0.167749D+01  0.151842D+01 -0.274197D+01  0.173163D+01
                61            62            63            64            65 
      1   0.641531D+01  0.429940D+01  0.476978D+01  0.366191D+00  0.116703D+01
      2  -0.190029D+01 -0.105874D+01  0.193285D+01  0.113449D+01  0.227238D+00
      3   0.592781D+00  0.360276D+01 -0.547614D+01 -0.682640D+00 -0.456822D+01
                66            67            68            69            70 
      1  -0.239260D+01  0.122995D+00  0.501494D+01 -0.101707D+02 -0.521674D+00
      2   0.500150D+01 -0.589841D+01  0.172798D+01  0.548140D+01  0.949628D+00
      3  -0.566142D+00  0.906589D+01 -0.198671D+02 -0.233052D+01  0.153779D+01
                71            72            73            74            75 
      1   0.198314D+01 -0.220437D+01  0.679455D+00 -0.384296D+00  0.146867D+00
      2   0.562233D+01  0.308571D+01  0.111506D+01 -0.119645D+00  0.365434D-01
      3  -0.233576D+01 -0.543758D+01  0.509245D+00 -0.379585D+00 -0.524406D+00
                76            77            78            79            80 
      1  -0.277595D+00 -0.164266D+01 -0.594661D+00  0.237802D+00  0.263525D+01
      2  -0.213977D+00  0.414950D+00 -0.320354D+00 -0.368546D+01 -0.266094D-02
      3   0.137507D+01  0.409152D+00 -0.240254D+00 -0.102800D+01 -0.518005D+00
                81            82            83            84            85 
      1   0.203033D+01 -0.928154D+00  0.987874D-01 -0.232893D+00 -0.145310D+00
      2   0.900033D+00 -0.244835D+01 -0.250347D+00 -0.170465D+00 -0.152714D+01
      3   0.758193D-01  0.216900D+01  0.492217D+00  0.120961D+01  0.428361D+01
                86            87            88            89            90 
      1   0.102029D+01 -0.308698D+01  0.198287D-03  0.627962D+00 -0.105884D+01
      2  -0.254940D+01 -0.294917D+01 -0.269217D+01 -0.248608D+01 -0.236069D+01
      3   0.728889D+01  0.323771D+01  0.243502D+01  0.310919D+01  0.300240D+01
                91            92            93            94            95 
      1   0.144701D+01  0.153361D+01  0.126851D+01  0.182991D+01  0.215176D+01
      2  -0.254865D+01 -0.215132D+01 -0.154051D+01 -0.230589D+01 -0.408390D+01
      3   0.691939D+01  0.850486D+01  0.782685D+00  0.119931D+02  0.164140D+02
                96            97            98            99           100 
      1  -0.431131D+00  0.118649D+01  0.158132D+01 -0.244176D+00 -0.150377D+01
      2  -0.347807D+01 -0.205301D+01 -0.227419D+01 -0.120567D+01 -0.105238D+01
      3   0.285190D+01  0.117803D+01  0.225476D+01  0.366110D+00  0.996190D+00
               101           102           103           104           105 
      1  -0.455311D+00 -0.416012D+01 -0.117679D+01 -0.403154D-01 -0.800058D+00
      2  -0.745862D+00 -0.543339D+00 -0.737938D+00  0.174608D+00  0.340879D-01
      3   0.100781D+01  0.200976D+01  0.214036D+01 -0.454293D+00  0.846786D+00
               106           107           108           109           110 
      1  -0.480435D+01  0.665029D+00 -0.107199D+02  0.111944D+01  0.242806D+01
      2  -0.345073D+01  0.117268D+00 -0.188855D+01  0.270109D+00 -0.260087D+00
      3   0.487394D+01 -0.871522D-02  0.446812D+01  0.391998D+01  0.312496D+01
               111           112           113           114           115 
      1  -0.258144D+01  0.270887D+01  0.455941D+01 -0.408040D+01 -0.240572D+01
      2   0.167479D+00 -0.267475D+00 -0.338754D+00  0.522643D+00 -0.953896D+00
      3  -0.967588D+00  0.738266D+01  0.565082D+01 -0.188621D+01 -0.363736D+01
               116           117           118           119           120 
      1  -0.305783D+01  0.289724D+01 -0.164797D+01 -0.229601D+01 -0.178261D+01
      2   0.194310D+00 -0.231465D+00  0.116007D+02  0.449278D+01 -0.347908D+01
      3  -0.271508D+01  0.201548D+01  0.948103D+01  0.280925D+01 -0.293968D+01
               121           122           123           124           125 
      1  -0.123650D+01 -0.151176D+01 -0.110303D+00 -0.530640D+00  0.214202D+01
      2   0.496858D+01  0.329114D+01 -0.194001D+01 -0.504209D+01 -0.207181D+01
      3   0.546494D+01  0.297828D+01 -0.251664D+01 -0.238953D+01 -0.154935D+01
               126           127           128           129           130 
      1   0.592929D+00 -0.291048D+01  0.423661D+01  0.161933D+01  0.320415D+01
      2   0.343757D+01 -0.472858D+01  0.298006D+01  0.231314D+01  0.420675D+01
      3   0.261082D+01 -0.136226D+01 -0.284373D+01  0.106727D-01  0.149274D+01
               131           132           133           134           135 
      1  -0.402162D+01 -0.619183D+00  0.178024D+00  0.177456D+01 -0.199876D+00
      2  -0.164447D+01 -0.131516D+01 -0.124932D+01  0.158873D+00 -0.267509D+00
      3   0.339879D+01 -0.153772D+01 -0.601504D+00 -0.103348D+01 -0.241764D+00
               136           137           138           139           140 
      1   0.100104D+01  0.245582D+01  0.104736D+01  0.166461D+01  0.992630D+01
      2   0.917629D-01  0.454986D+00  0.452453D+00 -0.144313D+01  0.197695D+01
      3  -0.424050D-01 -0.245128D+01 -0.128185D+01  0.754371D-01 -0.615911D+01
               141           142           143           144           145 
      1   0.511687D+01  0.918450D+00  0.798309D+01  0.608997D+01  0.173068D+00
      2   0.431825D+01 -0.250292D+01  0.215741D+01  0.403881D+01 -0.241866D+01
      3  -0.334165D+01 -0.498336D+00 -0.354686D+01 -0.312502D+01  0.275930D+00
               146           147           148           149           150 
      1   0.633253D-01 -0.117415D+00 -0.313526D+00 -0.129139D+01 -0.440431D+00
      2  -0.818817D-01  0.299723D+00  0.504209D-02 -0.208438D+01  0.447519D+01
      3  -0.928235D+00 -0.240173D+00 -0.342819D+00 -0.278619D+01  0.267215D+01
               151           152           153           154           155 
      1  -0.673059D-01  0.358184D+01  0.803906D+00 -0.105028D+01 -0.123948D+01
      2  -0.103402D+01  0.478870D+01 -0.215794D+02  0.313336D+01  0.180018D+01
      3  -0.287665D+00  0.416299D+01 -0.495766D+01 -0.302743D+01 -0.401133D+01
               156           157           158           159           160 
      1  -0.917706D+00 -0.135592D+01 -0.389157D+01 -0.397558D+01 -0.789444D+00
      2   0.214203D+01  0.167800D+01  0.620111D+01  0.623051D+01  0.862223D+00
      3  -0.775912D+00 -0.197417D+01 -0.154281D+02 -0.465866D+01 -0.593820D+00
               161           162           163           164           165 
      1  -0.890775D+00 -0.224129D+01  0.208201D+01 -0.169512D+01  0.705911D+00
      2   0.482819D+01  0.395367D+01  0.588727D+01 -0.239303D+01  0.493992D+01
      3  -0.708357D+01 -0.422085D+01  0.790535D+01 -0.915609D+01  0.148504D-01
               166           167           168           169           170 
      1  -0.169391D+01  0.180120D+01 -0.167329D+01 -0.573500D-02  0.228663D+00
      2  -0.262244D+01  0.298501D+01 -0.316563D+01  0.223489D+01 -0.664318D+00
      3  -0.596003D+01  0.770203D+01 -0.110687D+01 -0.592859D-03 -0.187465D+01
               171 
      1   0.222440D+00
      2   0.218789D-01
      3   0.691273D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.942606D+01  0.229835D+02 -0.111291D+02  0.275844D+02 -0.150668D+02
      2   0.188468D+01 -0.127694D+02  0.521447D+01 -0.151705D+02  0.216615D+01
      3   0.754138D+01 -0.102141D+02  0.591465D+01 -0.124139D+02  0.129007D+02
      4   0.249492D+02 -0.134419D+02 -0.487162D+01 -0.189780D+02 -0.105489D+02
      5  -0.101708D+02 -0.779876D+01  0.422163D+01 -0.926185D+01 -0.954156D+01
      6  -0.456275D+01  0.181119D+01  0.212769D+00  0.147265D+01 -0.936995D+00
                 6             7             8             9            10 
      1  -0.786313D+01 -0.133717D+02 -0.567001D+01  0.112719D+02 -0.577731D+01
      2  -0.260968D+01  0.355578D+01 -0.449919D+01  0.680869D+01  0.142088D+01
      3   0.104728D+02  0.981590D+01  0.101692D+02 -0.180806D+02  0.435642D+01
      4  -0.110057D+02 -0.401593D+01 -0.124018D+02 -0.120789D+02 -0.106483D+02
      5  -0.120725D+02  0.593213D+00 -0.128660D+02  0.255326D+02  0.100890D+02
      6  -0.354081D+00 -0.110154D+01 -0.448360D+00  0.562986D+01 -0.423438D+01
                11            12            13            14            15 
      1  -0.934271D+01  0.926950D+01 -0.132176D+02  0.947365D+01  0.660985D+01
      2   0.427237D+01 -0.629416D+01  0.731396D+01 -0.796759D+01 -0.927839D+01
      3   0.507034D+01 -0.297535D+01  0.590360D+01 -0.150606D+01  0.266855D+01
      4   0.417195D+01  0.184501D+01  0.892551D+01  0.528261D+01  0.512293D+01
      5   0.356320D+01 -0.108654D+01  0.627534D+01  0.564413D+01  0.655728D+01
      6   0.906877D+00 -0.810212D+00  0.684067D+00 -0.966065D+01 -0.357211D+01
                16            17            18            19            20 
      1   0.119866D+02  0.500317D+01  0.466824D+01 -0.712331D+01 -0.794340D+00
      2  -0.587746D+01 -0.395549D+01 -0.477184D+01  0.881911D+01  0.767913D+00
      3  -0.610916D+01 -0.104768D+01  0.103597D+00 -0.169580D+01  0.264271D-01
      4   0.383263D+01  0.507544D+01  0.785133D+01 -0.477881D+00  0.327608D+01
      5  -0.324511D+00  0.781337D+01 -0.897830D+01 -0.198177D+01 -0.369522D+00
      6   0.463840D+00 -0.548229D+01  0.897642D+00  0.300108D+01 -0.214317D+01
                21            22            23            24            25 
      1  -0.198774D+00  0.596884D+01  0.321762D+01 -0.160407D+01 -0.412138D+01
      2   0.197096D+01 -0.230145D+01 -0.549744D+01 -0.271925D+01  0.273005D+01
      3  -0.177218D+01 -0.366739D+01  0.227982D+01  0.432332D+01  0.139133D+01
      4   0.824215D+00 -0.650749D+01  0.504867D+01  0.635705D+00 -0.398782D+01
      5   0.659389D+00 -0.270244D+01  0.481746D+00  0.277297D+01 -0.968295D+00
      6   0.941196D+00 -0.784567D+00  0.899285D+00 -0.486977D+01 -0.561182D+00
                26            27            28            29            30 
      1  -0.145828D+01  0.950730D+01 -0.718248D+01  0.106502D+02  0.216570D+01
      2  -0.803692D+01  0.771486D+01  0.921029D+00 -0.814688D+01 -0.605461D+01
      3   0.949520D+01 -0.172222D+02  0.626145D+01 -0.250331D+01  0.388891D+01
      4   0.324532D+00  0.349192D+00  0.587282D+01 -0.853343D+01 -0.308998D+01
      5  -0.110793D+01  0.676782D+00  0.366697D+01 -0.336779D+01 -0.753082D+01
      6  -0.308812D+01  0.892887D+01 -0.167480D+01 -0.210699D+01 -0.107870D+01
                31            32            33            34            35 
      1   0.132885D+01  0.821502D+01  0.339448D+01  0.367511D+01 -0.809772D+00
      2  -0.387382D+01 -0.179450D+02  0.440031D+01 -0.457075D+01 -0.293818D+01
      3   0.254496D+01  0.972998D+01 -0.779479D+01  0.895634D+00  0.374795D+01
      4  -0.186280D+02 -0.235466D+02 -0.567547D+01 -0.968082D+01 -0.274229D+01
      5  -0.931685D+01 -0.752737D+01 -0.533877D+01 -0.487393D+00 -0.395097D+01
      6  -0.330587D+01 -0.891612D+01 -0.110718D+02 -0.302647D+01  0.132258D+01
                36            37            38            39            40 
      1  -0.375996D+01  0.492007D+02 -0.673318D+01 -0.511942D+01  0.650161D+01
      2  -0.306116D+01 -0.291181D+02  0.804151D+00  0.627989D+01 -0.740612D+01
      3   0.682112D+01 -0.200827D+02  0.592903D+01 -0.116047D+01  0.904511D+00
      4  -0.487042D+01 -0.166188D+02  0.164060D+02  0.245803D+01  0.164358D+02
      5   0.379304D+01 -0.923317D+01  0.171247D+01  0.161475D+02  0.272678D+00
      6  -0.731063D+01 -0.645330D+00 -0.504485D+00 -0.297505D+01 -0.166325D+01
                41            42            43            44            45 
      1   0.112582D+02 -0.392743D+00 -0.350459D+01  0.250181D+01  0.587048D+01
      2  -0.435435D+01 -0.150235D+01  0.318866D+01 -0.156214D+01 -0.982724D+01
      3  -0.690387D+01  0.189510D+01  0.315928D+00 -0.939668D+00  0.395675D+01
      4  -0.518999D+00 -0.529802D+00  0.415654D+01 -0.824091D+00 -0.334534D+01
      5  -0.439967D+00 -0.862141D+00  0.151031D+02 -0.373274D+01 -0.115910D+02
      6  -0.102760D+01  0.634926D+01 -0.116313D+01  0.468802D+01  0.174107D+01
                46            47            48            49            50 
      1   0.806094D+01  0.134835D+02 -0.879318D+01  0.128651D+02 -0.256044D+01
      2  -0.931949D+01 -0.302404D-01  0.486322D+01  0.618607D+00  0.533286D+01
      3   0.125855D+01 -0.134532D+02  0.392996D+01 -0.134837D+02 -0.277242D+01
      4   0.114676D+02 -0.167527D+02  0.565409D+01 -0.172592D+02  0.347208D+01
      5  -0.550009D+01  0.919483D+01 -0.565825D+01  0.783561D+01 -0.120091D+02
      6   0.158686D+02 -0.488116D+01 -0.340818D+01 -0.536796D+01  0.153460D+01
                51            52            53            54            55 
      1   0.292563D+01 -0.770510D+01  0.205319D+01 -0.621883D+01  0.155045D+02
      2   0.121556D+02  0.398885D+01  0.936179D+01  0.155415D+01 -0.116125D+02
      3  -0.150812D+02  0.371625D+01 -0.114150D+02  0.466468D+01 -0.389196D+01
      4  -0.804545D+01  0.303133D+01 -0.546905D+01 -0.901529D+01 -0.259898D+01
      5  -0.100945D+02 -0.607003D+01 -0.105693D+02  0.593736D+01 -0.111766D+01
      6  -0.747193D+01 -0.352638D+01 -0.477061D+01 -0.110703D+02 -0.617170D+00
                56            57            58            59            60 
      1   0.784353D+01  0.221338D+00  0.468848D+01 -0.898377D+01 -0.620024D+01
      2  -0.141873D+02  0.343225D+01 -0.111288D+02  0.114625D+02  0.962324D+01
      3   0.634381D+01 -0.365359D+01  0.644030D+01 -0.247874D+01 -0.342299D+01
      4  -0.196489D+01 -0.117722D+01  0.319495D+01 -0.124998D+02  0.472662D+00
      5   0.848073D-01  0.273656D+01  0.547842D+00 -0.280662D+00 -0.240430D+01
      6   0.169740D+01 -0.837211D+01  0.181924D+01  0.117473D+02  0.573535D+01
                61            62            63            64            65 
      1  -0.221849D+01 -0.677948D+01  0.911731D+00  0.108402D+02  0.541598D+01
      2   0.634308D+01  0.131914D+02  0.552771D+00 -0.247440D+01  0.138719D+01
      3  -0.412459D+01 -0.641189D+01 -0.146450D+01 -0.836577D+01 -0.680317D+01
      4   0.449453D+00  0.138650D+01 -0.788902D+01  0.159217D+02  0.189093D+02
      5   0.316060D+01 -0.178642D+01 -0.371445D+01  0.673547D+01  0.565355D+01
      6  -0.846760D+01  0.176699D+01 -0.468129D+01  0.344122D+01  0.313713D+01
                66            67            68            69            70 
      1   0.113402D+01  0.925106D+01 -0.214621D+02 -0.629620D+01  0.303516D+01
      2  -0.973394D+00  0.902871D+00  0.397153D+02  0.176900D+01 -0.100033D+01
      3  -0.160627D+00 -0.101539D+02 -0.182532D+02  0.452721D+01 -0.203483D+01
      4   0.478963D+01  0.239622D+02  0.448344D+02  0.944074D+01  0.547936D+01
      5   0.948706D+01  0.662515D+01  0.112855D+02  0.115751D+02  0.101796D+02
      6   0.431102D+01  0.533339D+01  0.134168D+02  0.172357D+02  0.506487D+01
                71            72            73            74            75 
      1  -0.477219D+01 -0.610903D+01  0.867025D+00  0.620567D+00 -0.246783D+00
      2   0.271660D+01  0.357446D+00 -0.361269D+01 -0.524675D+00 -0.349891D+00
      3   0.205559D+01  0.575159D+01  0.274567D+01 -0.958925D-01  0.596674D+00
      4   0.684418D+01  0.123903D+02 -0.221436D+00  0.157753D+01 -0.179412D+01
      5   0.126185D+02  0.103279D+02  0.188478D+00 -0.122442D+01  0.510253D+01
      6   0.142347D+02  0.968438D+01 -0.203015D+01  0.760981D+00 -0.349080D-01
                76            77            78            79            80 
      1   0.153574D+00 -0.517021D+01  0.342669D+01  0.630659D+00  0.536224D+01
      2   0.294781D+00  0.177878D+01 -0.645964D+00  0.340510D+00  0.366273D+00
      3  -0.448355D+00  0.339143D+01 -0.278073D+01 -0.971169D+00 -0.572851D+01
      4   0.252011D+01 -0.966812D+00  0.396980D+00 -0.515044D+00  0.885980D+00
      5  -0.483043D+00 -0.523990D-01 -0.435659D+00  0.533494D+01  0.185201D+00
      6   0.815974D+00 -0.412502D+01  0.812406D+01  0.347675D+00  0.768842D+01
                81            82            83            84            85 
      1  -0.181201D+02 -0.783698D+00 -0.125877D+01 -0.282425D+01 -0.298755D+01
      2  -0.126893D+02  0.230658D+01  0.104306D+01  0.196612D+01  0.222854D+01
      3   0.308094D+02 -0.152288D+01  0.215703D+00  0.858134D+00  0.759009D+00
      4  -0.488135D+00 -0.477315D+00  0.276187D+01  0.130436D+01  0.245552D+01
      5   0.100109D+01 -0.206661D+01  0.117036D+01  0.180125D+01  0.111575D+01
      6  -0.131967D+02  0.292546D+01  0.619715D+00  0.764470D+00  0.617040D+00
                86            87            88            89            90 
      1  -0.132174D+02 -0.510433D+01 -0.416317D+01 -0.601712D+01 -0.710081D+01
      2   0.175800D+02  0.643597D+01  0.226252D+01  0.443996D+01  0.229488D+01
      3  -0.436258D+01 -0.133164D+01  0.190065D+01  0.157716D+01  0.480594D+01
      4  -0.110567D+02 -0.439186D+01  0.262462D+00 -0.471183D+01 -0.418463D+01
      5  -0.434974D+01 -0.597214D+01  0.257201D+01 -0.448094D+01 -0.393961D+01
      6   0.119194D+02  0.977197D+01  0.903775D+00  0.100267D+02  0.904725D+01
                91            92            93            94            95 
      1  -0.113123D+02 -0.440567D+01 -0.397899D-02 -0.168632D+02 -0.597686D+01
      2   0.101478D+02  0.146019D+01  0.996090D-01  0.988203D+01  0.852927D+01
      3   0.116444D+01  0.294548D+01 -0.956300D-01  0.698120D+01 -0.255241D+01
      4  -0.400845D+01  0.479987D+00  0.268593D-01  0.641658D+01 -0.158906D+02
      5   0.711991D+00  0.523471D+00 -0.133811D+01  0.281879D+01 -0.303170D+01
      6   0.942833D+00 -0.371904D+00 -0.185553D+01 -0.656117D+00  0.290251D+01
                96            97            98            99           100 
      1  -0.945438D-01 -0.171240D+01 -0.135914D+01 -0.710102D+00 -0.157410D+01
      2   0.637944D+00  0.136270D+01  0.120179D+01 -0.383437D+00  0.113246D+01
      3  -0.543400D+00  0.349703D+00  0.157353D+00  0.109354D+01  0.441643D+00
      4  -0.403036D+01  0.969495D+00 -0.322536D+01 -0.326212D+01  0.221009D+01
      5  -0.532668D+01  0.340460D+01 -0.278707D+01 -0.279724D+01  0.129033D+01
      6   0.192415D+01 -0.173038D+01  0.277224D+01  0.174610D+01  0.388695D+01
               101           102           103           104           105 
      1  -0.172422D+01 -0.196266D+01  0.847739D+00 -0.290689D+01 -0.763165D+00
      2   0.241725D+01  0.978781D-01 -0.746647D+00  0.338920D+01  0.925819D+00
      3  -0.693032D+00  0.186478D+01 -0.101092D+00 -0.482310D+00 -0.162654D+00
      4   0.290349D+01  0.323033D+01  0.219974D+01  0.199451D+01  0.144278D+01
      5   0.184298D+01  0.286055D+01  0.184990D+01  0.268720D+00  0.162335D+01
      6   0.214735D+01  0.650281D+01  0.111563D+01  0.237923D+01  0.288490D+01
               106           107           108           109           110 
      1  -0.168725D+01 -0.414595D+01 -0.783045D+01 -0.184577D+01 -0.671661D+01
      2  -0.164184D+01  0.458509D+01 -0.389852D+01  0.598846D+01  0.138594D+02
      3   0.332908D+01 -0.439137D+00  0.117290D+02 -0.414270D+01 -0.714275D+01
      4   0.582542D+01  0.221160D+01  0.505389D+01  0.491440D+01  0.907410D+01
      5   0.327453D+01  0.126970D+01  0.459244D+01 -0.127461D+01 -0.109853D+01
      6   0.584693D+01  0.554092D+01  0.159229D+02 -0.248812D+01 -0.341395D+01
               111           112           113           114           115 
      1   0.546002D+00 -0.523194D+01 -0.162770D+02  0.347319D+01  0.230660D+01
      2  -0.254493D+01  0.107306D+02  0.307842D+02 -0.684889D+01 -0.412343D+01
      3   0.199892D+01 -0.549862D+01 -0.145072D+02  0.337570D+01  0.181684D+01
      4  -0.184397D+01  0.896507D+01  0.105726D+02 -0.297395D+01 -0.316313D+01
      5   0.190123D+01  0.280802D-01 -0.127029D+01  0.809200D+00  0.177790D+01
      6   0.316164D+01 -0.342599D+01 -0.841585D+01  0.629496D+01  0.378581D+01
               116           117           118           119           120 
      1   0.733074D+01 -0.467400D+01 -0.940720D+01 -0.919748D+01  0.107041D+02
      2  -0.120434D+02  0.564948D+01  0.525973D+01  0.626133D+01 -0.881753D+00
      3   0.471264D+01 -0.975479D+00  0.414747D+01  0.293615D+01 -0.982238D+01
      4  -0.421306D+01  0.323651D+01  0.721611D+01  0.405975D+01 -0.229492D+01
      5   0.143120D+01 -0.955749D+00 -0.954102D+01 -0.389826D+01  0.302092D+01
      6   0.937565D+01 -0.611523D+01 -0.777599D+01 -0.799684D+01  0.865470D+01
               121           122           123           124           125 
      1  -0.788143D+01 -0.853155D+01  0.636804D+01  0.684825D+01  0.509931D+01
      2   0.523536D+01  0.764825D+01 -0.343127D+01 -0.576237D+00 -0.251449D+01
      3   0.264608D+01  0.883301D+00 -0.293677D+01 -0.627201D+01 -0.258482D+01
      4   0.569209D+01  0.822484D+00  0.167523D+00 -0.202634D+01 -0.482340D+00
      5  -0.472715D+01 -0.459684D+00  0.143333D+01  0.503359D+01  0.221419D+01
      6  -0.494635D+01 -0.849534D+01  0.805619D+01  0.573061D+01  0.677076D+01
               126           127           128           129           130 
      1  -0.798015D+01  0.163521D+02 -0.667488D+01  0.176290D+01 -0.718548D+01
      2  -0.538203D+00 -0.403458D+01 -0.320160D+01 -0.303395D+01 -0.254567D+01
      3   0.851835D+01 -0.123175D+02  0.987649D+01  0.127105D+01  0.973114D+01
      4   0.277085D+01 -0.222402D+02  0.199554D+02 -0.766473D+01  0.189465D+02
      5  -0.286960D+01  0.165639D+02 -0.113938D+02  0.118571D+02 -0.108767D+02
      6  -0.593301D+01 -0.105027D+02  0.106165D+02 -0.704228D+01  0.871236D+01
               131           132           133           134           135 
      1  -0.615355D+00  0.143107D+01  0.403046D+00  0.886104D+00  0.459369D+00
      2   0.102308D+02 -0.142783D+01 -0.197748D+01 -0.134040D+00 -0.152427D+01
      3  -0.961541D+01 -0.323784D-02  0.157443D+01 -0.752064D+00  0.106491D+01
      4  -0.210546D+02  0.757182D+01 -0.354071D+01  0.403779D+01 -0.505178D+01
      5   0.110368D+02 -0.694058D+01  0.811386D+01 -0.481101D+01  0.522159D+01
      6  -0.130935D+02  0.958379D+01 -0.482868D+01  0.710614D+01 -0.402826D+01
               136           137           138           139           140 
      1   0.173608D+01  0.544924D+00  0.229675D+01  0.225307D+01 -0.175824D+01
      2  -0.344551D+01 -0.221346D+01 -0.470976D+01 -0.386424D+01 -0.418909D+01
      3   0.170943D+01  0.166854D+01  0.241301D+01  0.161117D+01  0.594733D+01
      4   0.101149D+01  0.519820D+01  0.714407D+00  0.446335D+01  0.788175D+01
      5   0.611973D+01  0.213771D+01  0.818191D+01  0.537808D+01  0.801337D+01
      6   0.198440D+00  0.317817D+01  0.132180D+01  0.252938D+01  0.109916D+02
               141           142           143           144           145 
      1  -0.543802D+01  0.214084D+01 -0.309423D+01 -0.724413D+01  0.118486D+01
      2  -0.956334D+01 -0.441741D+01 -0.626563D+01 -0.126785D+02 -0.291971D+01
      3   0.150014D+02  0.227657D+01  0.935986D+01  0.199226D+02  0.173485D+01
      4   0.558081D+01  0.304591D+00  0.502545D+01  0.501616D+01 -0.783723D+00
      5   0.118094D+02  0.752633D+01  0.609677D+01  0.128354D+02 -0.357358D+01
      6   0.740140D+01  0.120303D+01  0.867335D+01  0.636899D+01 -0.674152D+00
               146           147           148           149           150 
      1  -0.640998D+00 -0.516756D+01 -0.646448D+00 -0.756092D+00  0.273637D+01
      2   0.363407D+00  0.244073D+01 -0.107170D+00 -0.624260D+00  0.167871D+01
      3   0.277591D+00  0.272683D+01  0.753618D+00  0.138035D+01 -0.441508D+01
      4   0.223723D+01 -0.935789D+00  0.484772D+01  0.497181D+01 -0.521927D+01
      5  -0.684796D+00  0.576598D+01 -0.199994D+01 -0.499855D+01  0.851747D+01
      6   0.395630D-02  0.257537D+00 -0.128526D+01 -0.333701D+01  0.751061D+01
               151           152           153           154           155 
      1  -0.860146D+01  0.289785D+01 -0.127042D+02  0.922360D+01  0.485759D+01
      2   0.830171D+01  0.160187D+01 -0.183929D+02 -0.169223D+01 -0.520206D-02
      3   0.299747D+00 -0.449971D+01  0.310970D+02 -0.753136D+01 -0.485238D+01
      4  -0.286101D+01 -0.704782D+01  0.815227D+01  0.628193D+01  0.115418D+02
      5   0.144648D+02  0.887251D+01 -0.417647D+02  0.329856D+01  0.287610D+01
      6   0.106392D+01  0.761185D+01 -0.799647D+01  0.115698D+01 -0.469327D+00
               156           157           158           159           160 
      1   0.399023D+01  0.108668D+02  0.519049D+01  0.155952D+01  0.103365D+02
      2  -0.109420D+01 -0.238755D+01  0.935499D+01  0.330434D+01 -0.420826D+01
      3  -0.289603D+01 -0.847920D+01 -0.145455D+02 -0.486386D+01 -0.612819D+01
      4   0.381176D+01  0.162572D+02  0.285739D+02  0.783597D+01  0.678652D+01
      5   0.295570D+01  0.188776D+01  0.756658D+01  0.102135D+02  0.408843D+01
      6   0.479732D+00 -0.279968D+00  0.506454D+00  0.357238D+01  0.134603D+01
               161           162           163           164           165 
      1   0.282272D+01 -0.122028D+00  0.538825D+02 -0.188223D+02  0.833614D+00
      2   0.286852D+01 -0.110626D+00 -0.258617D+02  0.839829D+01  0.832283D+00
      3  -0.569123D+01  0.232654D+00 -0.280208D+02  0.104240D+02 -0.166590D+01
      4   0.121297D+02  0.787012D+01 -0.217038D+02  0.170937D+02  0.449304D+00
      5   0.823540D+01  0.641666D+01 -0.609630D+01  0.251200D+01  0.832931D+01
      6   0.317723D+01  0.238005D+01  0.378398D+01 -0.299143D+01 -0.103070D+01
               166           167           168           169           170 
      1  -0.283402D+02  0.132921D+02  0.874527D+00  0.698354D+01 -0.808031D+00
      2   0.124138D+02 -0.212326D+01 -0.989736D+00 -0.241991D+01  0.659116D+00
      3   0.159264D+02 -0.111689D+02  0.115209D+00 -0.456364D+01  0.148915D+00
      4   0.204055D+02 -0.173055D+02  0.131276D+01 -0.130701D+01  0.319649D+01
      5   0.473299D+01 -0.335813D+00 -0.586426D+01  0.753799D+01 -0.257802D+01
      6  -0.327553D+01  0.314652D+01  0.230985D+01 -0.128470D+01  0.198732D+01
               171 
      1   0.360813D+01
      2  -0.333298D+01
      3  -0.275159D+00
      4  -0.250492D+01
      5  -0.161534D+01
      6  -0.579573D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Aug 13 11:06:10 2021, MaxMem=  5368709120 cpu:            8291.3 elap:            1037.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.30000 -19.24455 -14.47158 -10.42700 -10.35644
 Alpha  occ. eigenvalues --  -10.31770 -10.30208 -10.29978  -1.19293  -1.10899
 Alpha  occ. eigenvalues --   -1.01747  -0.90410  -0.80744  -0.79346  -0.69673
 Alpha  occ. eigenvalues --   -0.67529  -0.63982  -0.60934  -0.57480  -0.55222
 Alpha  occ. eigenvalues --   -0.54662  -0.52690  -0.50737  -0.50207  -0.48330
 Alpha  occ. eigenvalues --   -0.46268  -0.43946  -0.43276  -0.42921  -0.40181
 Alpha  occ. eigenvalues --   -0.39026  -0.34640
 Alpha virt. eigenvalues --    0.06063   0.08237   0.10284   0.10489   0.10855
 Alpha virt. eigenvalues --    0.13286   0.13970   0.14694   0.15345   0.16076
 Alpha virt. eigenvalues --    0.18037   0.18553   0.19493   0.19591   0.20322
 Alpha virt. eigenvalues --    0.21338   0.21929   0.22544   0.23533   0.24061
 Alpha virt. eigenvalues --    0.24926   0.25255   0.26150   0.26534   0.27528
 Alpha virt. eigenvalues --    0.27949   0.29426   0.29863   0.31047   0.32033
 Alpha virt. eigenvalues --    0.33294   0.33944   0.35027   0.35464   0.36448
 Alpha virt. eigenvalues --    0.36914   0.37721   0.38058   0.38459   0.39362
 Alpha virt. eigenvalues --    0.39708   0.40569   0.41297   0.42537   0.42774
 Alpha virt. eigenvalues --    0.43067   0.43392   0.44674   0.45240   0.45735
 Alpha virt. eigenvalues --    0.46153   0.46606   0.47079   0.48345   0.48745
 Alpha virt. eigenvalues --    0.49280   0.51238   0.52331   0.52442   0.53092
 Alpha virt. eigenvalues --    0.53727   0.54032   0.55563   0.55587   0.55949
 Alpha virt. eigenvalues --    0.56750   0.57760   0.58364   0.58586   0.59056
 Alpha virt. eigenvalues --    0.59236   0.59793   0.60216   0.61588   0.62461
 Alpha virt. eigenvalues --    0.63305   0.64589   0.64822   0.65846   0.66347
 Alpha virt. eigenvalues --    0.66640   0.67241   0.69111   0.70103   0.71123
 Alpha virt. eigenvalues --    0.71529   0.71864   0.73300   0.73580   0.75063
 Alpha virt. eigenvalues --    0.77314   0.77676   0.78093   0.79662   0.80828
 Alpha virt. eigenvalues --    0.81850   0.83834   0.85656   0.86423   0.87415
 Alpha virt. eigenvalues --    0.88395   0.89424   0.91019   0.92422   0.93996
 Alpha virt. eigenvalues --    0.96149   0.97784   0.99789   1.01818   1.03718
 Alpha virt. eigenvalues --    1.04228   1.07093   1.08966   1.09542   1.11306
 Alpha virt. eigenvalues --    1.11556   1.12955   1.13155   1.14812   1.17988
 Alpha virt. eigenvalues --    1.20493   1.22637   1.24054   1.25268   1.26368
 Alpha virt. eigenvalues --    1.29444   1.30818   1.33203   1.35020   1.36509
 Alpha virt. eigenvalues --    1.37209   1.41944   1.42874   1.47551   1.48723
 Alpha virt. eigenvalues --    1.52253   1.53011   1.56397   1.60082   1.60696
 Alpha virt. eigenvalues --    1.64393   1.65598   1.69064   1.69969   1.71951
 Alpha virt. eigenvalues --    1.74754   1.76971   1.79209   1.82099   1.82725
 Alpha virt. eigenvalues --    1.83431   1.86942   1.88156   1.90612   1.91630
 Alpha virt. eigenvalues --    1.92663   1.93753   1.95766   1.96157   1.99086
 Alpha virt. eigenvalues --    1.99659   2.03495   2.04177   2.05785   2.07105
 Alpha virt. eigenvalues --    2.09607   2.10076   2.11807   2.14182   2.14728
 Alpha virt. eigenvalues --    2.15991   2.19235   2.22184   2.23843   2.24810
 Alpha virt. eigenvalues --    2.25683   2.26041   2.29627   2.30744   2.32987
 Alpha virt. eigenvalues --    2.36109   2.41284   2.41826   2.44231   2.48581
 Alpha virt. eigenvalues --    2.50094   2.52129   2.53449   2.54626   2.55293
 Alpha virt. eigenvalues --    2.60612   2.65855   2.69166   2.69212   2.72439
 Alpha virt. eigenvalues --    2.74814   2.75835   2.77727   2.86444   2.95046
 Alpha virt. eigenvalues --    2.97357   2.99417   3.01405   3.04954   3.08437
 Alpha virt. eigenvalues --    3.08844   3.13060   3.14903   3.16968   3.19664
 Alpha virt. eigenvalues --    3.21244   3.25906   3.26267   3.29986   3.32170
 Alpha virt. eigenvalues --    3.37305   3.49252   3.56176   3.66401   3.72588
 Alpha virt. eigenvalues --    3.92869   4.05016
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.258325   0.269484  -0.019062   0.041955  -0.003019  -0.042636
     2  C    0.269484   5.934579   0.223598  -0.232422   0.028095   0.392811
     3  C   -0.019062   0.223598   5.842780  -0.345367   0.037403   0.008504
     4  C    0.041955  -0.232422  -0.345367   5.769027  -0.101429  -0.029660
     5  O   -0.003019   0.028095   0.037403  -0.101429   8.273525   0.010469
     6  C   -0.042636   0.392811   0.008504  -0.029660   0.010469   4.168016
     7  N    0.011962   0.033538  -0.215747  -0.065716  -0.030680  -0.035514
     8  O    0.003133  -0.013358   0.047256   0.152958   0.044035   0.000983
     9  H   -0.085781   0.054706   0.222212  -0.141546   0.014893   0.033034
    10  H   -0.083758   0.416111  -0.074868  -0.059625   0.004254  -0.026786
    11  H    0.000767  -0.005979  -0.037622   0.144377   0.179022  -0.000807
    12  H   -0.003024  -0.045305   0.097507   0.021536  -0.012022   0.000017
    13  H    0.012591  -0.037987   0.166885   0.023716   0.006703   0.000376
    14  H    0.007354   0.059996  -0.053728   0.030285  -0.004216   0.312337
    15  H   -0.003770   0.124819   0.017231   0.017897  -0.001688   0.172989
    16  H   -0.003040   0.129598  -0.033150  -0.001765  -0.007336   0.200520
    17  H    0.382878  -0.037528  -0.019078   0.014027  -0.001097   0.005743
    18  H    0.118221   0.193260  -0.005480  -0.013155   0.002633  -0.007503
    19  H    0.157214   0.180485   0.019493  -0.001397   0.000178  -0.007051
               7          8          9         10         11         12
     1  C    0.011962   0.003133  -0.085781  -0.083758   0.000767  -0.003024
     2  C    0.033538  -0.013358   0.054706   0.416111  -0.005979  -0.045305
     3  C   -0.215747   0.047256   0.222212  -0.074868  -0.037622   0.097507
     4  C   -0.065716   0.152958  -0.141546  -0.059625   0.144377   0.021536
     5  O   -0.030680   0.044035   0.014893   0.004254   0.179022  -0.012022
     6  C   -0.035514   0.000983   0.033034  -0.026786  -0.000807   0.000017
     7  N    7.698783  -0.002165  -0.030513   0.014115  -0.028365  -0.014403
     8  O   -0.002165   8.361160   0.005963  -0.016243  -0.023627  -0.002582
     9  H   -0.030513   0.005963   1.065333   0.012334  -0.000289   0.021754
    10  H    0.014115  -0.016243   0.012334   1.017078   0.000278  -0.008698
    11  H   -0.028365  -0.023627  -0.000289   0.000278   0.504266  -0.014817
    12  H   -0.014403  -0.002582   0.021754  -0.008698  -0.014817   0.933119
    13  H    0.052576  -0.000611  -0.058067  -0.001664  -0.005352  -0.128672
    14  H   -0.004461   0.000788   0.002055  -0.014777   0.001669  -0.007929
    15  H    0.001283  -0.003578  -0.004192   0.013503  -0.000038   0.000571
    16  H    0.014635   0.005128   0.000476  -0.006712   0.001287   0.039185
    17  H    0.007342   0.001125  -0.027224  -0.015800   0.000238   0.001133
    18  H   -0.010684   0.000105   0.003721   0.005715  -0.001239   0.000372
    19  H    0.000028  -0.000796   0.006824   0.018295  -0.000007   0.000040
              13         14         15         16         17         18
     1  C    0.012591   0.007354  -0.003770  -0.003040   0.382878   0.118221
     2  C   -0.037987   0.059996   0.124819   0.129598  -0.037528   0.193260
     3  C    0.166885  -0.053728   0.017231  -0.033150  -0.019078  -0.005480
     4  C    0.023716   0.030285   0.017897  -0.001765   0.014027  -0.013155
     5  O    0.006703  -0.004216  -0.001688  -0.007336  -0.001097   0.002633
     6  C    0.000376   0.312337   0.172989   0.200520   0.005743  -0.007503
     7  N    0.052576  -0.004461   0.001283   0.014635   0.007342  -0.010684
     8  O   -0.000611   0.000788  -0.003578   0.005128   0.001125   0.000105
     9  H   -0.058067   0.002055  -0.004192   0.000476  -0.027224   0.003721
    10  H   -0.001664  -0.014777   0.013503  -0.006712  -0.015800   0.005715
    11  H   -0.005352   0.001669  -0.000038   0.001287   0.000238  -0.001239
    12  H   -0.128672  -0.007929   0.000571   0.039185   0.001133   0.000372
    13  H    0.817909   0.001148   0.000746  -0.006550   0.002137   0.003652
    14  H    0.001148   0.673487  -0.050055   0.017100  -0.001196  -0.004009
    15  H    0.000746  -0.050055   0.756431  -0.044166   0.006515  -0.018012
    16  H   -0.006550   0.017100  -0.044166   0.718282  -0.003637   0.019611
    17  H    0.002137  -0.001196   0.006515  -0.003637   0.747703  -0.085401
    18  H    0.003652  -0.004009  -0.018012   0.019611  -0.085401   0.756172
    19  H   -0.001009  -0.000284   0.016638  -0.014386  -0.040520   0.004054
              19
     1  C    0.157214
     2  C    0.180485
     3  C    0.019493
     4  C   -0.001397
     5  O    0.000178
     6  C   -0.007051
     7  N    0.000028
     8  O   -0.000796
     9  H    0.006824
    10  H    0.018295
    11  H   -0.000007
    12  H    0.000040
    13  H   -0.001009
    14  H   -0.000284
    15  H    0.016638
    16  H   -0.014386
    17  H   -0.040520
    18  H    0.004054
    19  H    0.698507
 Mulliken charges:
               1
     1  C    0.980206
     2  C   -1.668501
     3  C    0.121232
     4  C    0.776306
     5  O   -0.439720
     6  C    0.844156
     7  N   -0.396015
     8  O   -0.559676
     9  H   -0.095694
    10  H   -0.192753
    11  H    0.286239
    12  H    0.122217
    13  H    0.151472
    14  H    0.034438
    15  H   -0.003127
    16  H   -0.025082
    17  H    0.062639
    18  H    0.037967
    19  H   -0.036305
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    1.044508
     2  C   -1.861254
     3  C    0.025538
     4  C    0.776306
     5  O   -0.153481
     6  C    0.850385
     7  N   -0.122326
     8  O   -0.559676
 Electronic spatial extent (au):  <R**2>=           1055.1220
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              4.0969    Y=              3.5094    Z=              0.4236  Tot=              5.4111
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -57.3857   YY=            -49.9668   ZZ=            -47.9557
   XY=             -3.8721   XZ=             -0.3920   YZ=             -1.7470
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -5.6163   YY=              1.8026   ZZ=              3.8137
   XY=             -3.8721   XZ=             -0.3920   YZ=             -1.7470
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              9.4042  YYY=             16.6937  ZZZ=             -1.1586  XYY=              6.6199
  XXY=              6.1793  XXZ=              0.6787  XZZ=             -2.8664  YZZ=              4.8124
  YYZ=              3.3281  XYZ=              2.6971
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -861.5253 YYYY=           -328.6766 ZZZZ=           -210.5005 XXXY=            -21.1296
 XXXZ=              2.6940 YYYX=             -3.7485 YYYZ=             -3.8214 ZZZX=             -1.3323
 ZZZY=              5.1279 XXYY=           -193.3418 XXZZ=           -172.3550 YYZZ=            -88.8804
 XXYZ=             -0.5569 YYXZ=             -4.7738 ZZXY=              0.2475
 N-N= 4.085254813963D+02 E-N=-1.753534597610D+03  KE= 3.977809669011D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Aug 13 11:06:11 2021, MaxMem=  5368709120 cpu:               2.4 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.54786413D+00 1.36513306D+00 1.64282711D-01
 Polarizability= 8.07011080D+01-4.57700373D-03 7.52912426D+01
                -1.85131322D+00 1.27549900D+00 6.61927954D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.9464    0.9456        0.0345    0.0332
 2     -0.9464   -0.9456       -0.7169   -0.7178       -2.6838   -2.6809
 3     -0.0345   -0.0332        7.4518    7.4501        0.7170    0.7178
 4      0.7169    0.7178        0.0000    0.0000       -0.0327   -0.0332
 5     -4.7680   -4.7693        0.0327    0.0332        0.9475    0.9456
 6     -0.7170   -0.7178       -0.9475   -0.9456       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -2.8367   -2.8367        0.0996    0.0996
 2      2.1535    2.1535        0.0000    0.0000        0.0996    0.0996
 3      2.1535    2.1535       -2.8367   -2.8367        0.0000    0.0000
 4     -2.8367   -2.8367       -2.1535   -2.1535       -8.0426   -8.0426
 5     -0.0996   -0.0996       22.3504   22.3504        2.1535    2.1535
 6    -14.3079  -14.3079        0.0996    0.0996        2.8367    2.8367
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.5944    0.0000       -4.2485   -3.7823        0.5890   -0.1328
 2      5.2179    3.7823        3.2701    2.8713        9.7587   10.7235
 3     -0.4696    0.1328      -30.1271  -29.8006       -2.3138   -2.8713
 4     -3.4747   -2.8713       -0.1917    0.0000        0.8593    0.1328
 5     19.6949   19.0771       -0.0239   -0.1328       -4.6578   -3.7823
 6      2.6266    2.8713        3.8009    3.7823        0.3096    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      1.9585    0.0000        7.5217    6.9785       -4.1330   -2.1659
 2     -7.9908   -6.9785       16.0222   16.5385       18.2811   17.0084
 3      1.3031    2.1659       15.2551   15.5732      -17.0415  -16.5385
 4    -17.8220  -16.5385       -0.3915    0.0000        3.2349    2.1659
 5    -30.5752  -32.5816       -0.9973   -2.1659        4.3349    6.9785
 6     15.8926   16.5385       -6.9636   -6.9785        0.8114    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -8.3534   -9.2371        4.8944    4.5276       -2.1072   -1.6472
 2    -34.0540  -35.2814        7.1853    6.9782       -2.8927   -1.6472
 3    -35.1299  -35.2814        4.4770    4.5276       -1.7210   -1.6457
 4     -3.5713   -2.4506       25.6641   26.0443       20.8520   19.6464
 5     -0.5495    0.0015       31.2164   31.3336      -26.3320  -26.0443
 6    -48.7457  -50.9800        1.3594   -0.0015       -0.3627    2.4506
 Full mass-weighted force constant matrix:
 Low frequencies ---  -10.6347   -7.7866   -0.0011    0.0003    0.0004    3.9761
 Low frequencies ---   56.7213   83.2177  184.4170
 Diagonal vibrational polarizability:
       22.1512913      14.3772525      19.8281115
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     56.6886                83.2172               184.4165
 Red. masses --      4.8505                 2.7862                 3.4542
 Frc consts  --      0.0092                 0.0114                 0.0692
 IR Inten    --      0.6144                 3.1886                 7.5720
 RamAct Fr= 1--      0.9033                 0.5026                 0.5000
  Dep-P Fr= 1--      0.7356                 0.7473                 0.6227
  Dep-U Fr= 1--      0.8477                 0.8554                 0.7675
 Alpha2 Fr= 1--      0.0002                 0.0000                 0.0012
 Beta2  Fr= 1--      0.1276                 0.0717                 0.0640
 AlphaG Fr= 1--     -0.0011                -0.0003                 0.0024
 Gamma2 Fr= 1--      0.1826                 0.3089                 0.2453
 Delta2 Fr= 1--      0.0877                 0.1974                 0.0394
 Raman1 Fr= 1--       3.613                  2.011                  2.000
 ROA1   Fr= 1--      20.340                 35.975                 24.813
 CID1   Fr= 1--       5.629                 17.893                 12.407
 Raman2 Fr= 1--       1.532                  0.860                  0.767
 ROA2   Fr= 1--       3.682                  5.836                  5.572
 CID2   Fr= 1--       2.404                  6.786                  7.261
 Raman3 Fr= 1--       3.063                  1.720                  1.535
 ROA3   Fr= 1--      20.340                 35.975                 24.813
 CID3   Fr= 1--       6.640                 20.918                 16.166
 RC180  Fr= 1--       0.695                  0.711                  0.535
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.06   0.05    -0.03  -0.14  -0.15     0.03  -0.15  -0.03
     2   6    -0.02   0.00   0.04    -0.01  -0.01   0.06    -0.07   0.05  -0.07
     3   6    -0.00  -0.00  -0.07     0.00   0.02   0.07    -0.01   0.14  -0.04
     4   6     0.01  -0.01  -0.03    -0.01   0.00  -0.04     0.07   0.02   0.01
     5   8     0.13  -0.13   0.31    -0.05  -0.02  -0.07     0.00  -0.09   0.03
     6   6    -0.10   0.12   0.08     0.12   0.16   0.10    -0.21   0.01  -0.07
     7   7     0.01   0.03  -0.13    -0.03  -0.03   0.15    -0.04   0.09   0.04
     8   8    -0.06   0.06  -0.26     0.01   0.02  -0.12     0.23  -0.02   0.09
     9   1     0.03  -0.09  -0.09     0.04   0.08   0.09    -0.03   0.20  -0.03
    10   1    -0.01  -0.04   0.11    -0.12  -0.06   0.18    -0.18   0.08  -0.08
    11   1     0.15  -0.15   0.34    -0.05  -0.04   0.02    -0.11  -0.03   0.01
    12   1     0.27   0.16  -0.26    -0.07  -0.09   0.17    -0.10   0.02   0.07
    13   1    -0.27   0.08  -0.30    -0.01   0.01   0.22     0.01   0.12   0.12
    14   1    -0.12   0.16   0.08     0.08   0.36   0.28    -0.35   0.28  -0.09
    15   1    -0.12   0.11   0.17     0.02   0.04   0.08    -0.43  -0.25  -0.06
    16   1    -0.11   0.16   0.03     0.35   0.21  -0.04     0.05  -0.06  -0.07
    17   1     0.07  -0.16   0.03    -0.10  -0.33  -0.19     0.12  -0.21  -0.05
    18   1    -0.01  -0.01  -0.03     0.04  -0.04  -0.34     0.13  -0.15  -0.07
    19   1    -0.00  -0.05   0.16    -0.04  -0.13  -0.09    -0.08  -0.27   0.05
                      4                      5                      6
                      A                      A                      A
 Frequencies --    223.9321               246.5923               270.7235
 Red. masses --      1.1411                 1.0783                 1.9389
 Frc consts  --      0.0337                 0.0386                 0.0837
 IR Inten    --      0.8081                 0.2752                 4.9524
 RamAct Fr= 1--      0.0623                 0.1769                 1.1719
  Dep-P Fr= 1--      0.7454                 0.3086                 0.3338
  Dep-U Fr= 1--      0.8542                 0.4717                 0.5005
 Alpha2 Fr= 1--      0.0000                 0.0018                 0.0108
 Beta2  Fr= 1--      0.0089                 0.0139                 0.0978
 AlphaG Fr= 1--     -0.0001                -0.0028                -0.0017
 Gamma2 Fr= 1--      0.0185                -0.0231                -0.2103
 Delta2 Fr= 1--      0.0171                -0.0305                -0.0442
 Raman1 Fr= 1--       0.249                  0.708                  4.688
 ROA1   Fr= 1--       2.326                 -3.195                -21.602
 CID1   Fr= 1--       9.342                 -4.516                 -4.608
 Raman2 Fr= 1--       0.106                  0.167                  1.173
 ROA2   Fr= 1--       0.307                 -0.310                 -4.694
 CID2   Fr= 1--       2.889                 -1.859                 -4.001
 Raman3 Fr= 1--       0.213                  0.334                  2.346
 ROA3   Fr= 1--       2.326                 -3.195                -21.602
 CID3   Fr= 1--      10.937                 -9.575                 -9.206
 RC180  Fr= 1--       0.708                 -0.057                  0.001
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.06   0.03     0.01   0.01   0.04     0.02   0.04  -0.00
     2   6     0.01  -0.00  -0.02     0.00   0.00   0.00     0.01  -0.00  -0.07
     3   6     0.00  -0.02  -0.02    -0.01  -0.01  -0.00     0.01  -0.03  -0.07
     4   6    -0.01  -0.01  -0.00    -0.01  -0.01  -0.00     0.00  -0.02  -0.03
     5   8     0.02   0.02   0.00    -0.01  -0.00   0.00     0.07   0.02   0.03
     6   6    -0.00  -0.01  -0.02     0.04   0.01   0.00    -0.11   0.15  -0.02
     7   7     0.01  -0.04   0.01    -0.01   0.01  -0.03     0.04  -0.11   0.06
     8   8    -0.04  -0.01   0.02    -0.02  -0.01  -0.01    -0.06  -0.03   0.03
     9   1    -0.01  -0.00  -0.02    -0.00  -0.03  -0.01    -0.01   0.07  -0.05
    10   1     0.05  -0.00  -0.03     0.01   0.01  -0.00     0.08  -0.04  -0.02
    11   1     0.05   0.01  -0.00    -0.01  -0.00  -0.01     0.08   0.03  -0.07
    12   1     0.01  -0.07   0.01    -0.03   0.02  -0.02    -0.29  -0.36   0.21
    13   1     0.02  -0.03   0.03     0.01  -0.01  -0.04     0.43  -0.17   0.33
    14   1    -0.14   0.33   0.08    -0.08   0.35   0.15    -0.11   0.13  -0.07
    15   1    -0.25  -0.30  -0.08    -0.20  -0.29  -0.09    -0.08   0.23   0.17
    16   1     0.37  -0.07  -0.06     0.45  -0.04  -0.06    -0.23   0.24  -0.10
    17   1     0.16  -0.27  -0.06    -0.09   0.40   0.13     0.01   0.20   0.04
    18   1    -0.27   0.27  -0.21     0.20  -0.21   0.33     0.05  -0.06   0.14
    19   1     0.09   0.26   0.41    -0.05  -0.14  -0.31     0.01  -0.00  -0.12
                      7                      8                      9
                      A                      A                      A
 Frequencies --    292.1084               311.5377               363.4823
 Red. masses --      1.4215                 2.8254                 3.3522
 Frc consts  --      0.0715                 0.1616                 0.2609
 IR Inten    --     13.1367                 7.1082                 9.8872
 RamAct Fr= 1--      1.2792                 0.8306                 0.4601
  Dep-P Fr= 1--      0.2228                 0.3182                 0.6355
  Dep-U Fr= 1--      0.3643                 0.4827                 0.7771
 Alpha2 Fr= 1--      0.0163                 0.0081                 0.0010
 Beta2  Fr= 1--      0.0777                 0.0668                 0.0596
 AlphaG Fr= 1--      0.0139                -0.0030                 0.0010
 Gamma2 Fr= 1--     -0.6025                 0.2293                 0.0828
 Delta2 Fr= 1--     -0.2168                 0.0226                 0.0811
 Raman1 Fr= 1--       5.117                  3.322                  1.840
 ROA1   Fr= 1--     -64.776                 22.735                 10.547
 CID1   Fr= 1--     -12.660                  6.843                  5.731
 Raman2 Fr= 1--       0.932                  0.802                  0.715
 ROA2   Fr= 1--     -12.725                  5.321                  1.339
 CID2   Fr= 1--     -13.651                  6.636                  1.873
 Raman3 Fr= 1--       1.864                  1.604                  1.430
 ROA3   Fr= 1--     -64.776                 22.735                 10.547
 CID3   Fr= 1--     -34.746                 14.176                  7.375
 RC180  Fr= 1--      -0.271                 -0.035                  0.554
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.03  -0.02     0.22  -0.11   0.08    -0.05   0.02  -0.10
     2   6    -0.00   0.01  -0.02     0.06   0.07  -0.07     0.02   0.01   0.08
     3   6     0.00  -0.01  -0.00    -0.01   0.03  -0.03     0.04  -0.03  -0.01
     4   6     0.00  -0.02  -0.00    -0.05  -0.02  -0.00     0.07  -0.01  -0.04
     5   8     0.02   0.03  -0.06     0.00   0.03   0.00     0.24   0.12  -0.01
     6   6    -0.07   0.05  -0.00     0.08   0.05  -0.09    -0.05  -0.09   0.07
     7   7     0.06  -0.06   0.10    -0.17  -0.01   0.05    -0.25  -0.02   0.01
     8   8    -0.00  -0.03   0.03    -0.12  -0.02   0.04     0.00  -0.02   0.01
     9   1    -0.02   0.02   0.01    -0.05   0.08  -0.02     0.15  -0.01  -0.00
    10   1     0.01  -0.00  -0.00     0.04   0.08  -0.09    -0.01   0.02   0.08
    11   1     0.15  -0.07   0.15     0.09  -0.01   0.03     0.43   0.08  -0.14
    12   1     0.66   0.06  -0.20    -0.04   0.04  -0.01    -0.36   0.05   0.07
    13   1    -0.56   0.14  -0.17    -0.42   0.13   0.03    -0.33   0.09   0.09
    14   1    -0.10   0.09  -0.04     0.13  -0.04  -0.09    -0.11  -0.06  -0.04
    15   1    -0.10   0.02   0.06     0.15   0.13  -0.10    -0.12  -0.18   0.05
    16   1    -0.07   0.05  -0.01     0.00   0.06  -0.08    -0.03  -0.17   0.17
    17   1    -0.07   0.12   0.00     0.49  -0.16   0.05    -0.29   0.01  -0.09
    18   1     0.02  -0.02   0.04     0.29  -0.13   0.09     0.02   0.04  -0.16
    19   1    -0.01   0.01  -0.12     0.06  -0.26   0.28     0.00   0.05  -0.28
                     10                     11                     12
                      A                      A                      A
 Frequencies --    413.8798               520.2719               545.0772
 Red. masses --      2.7281                 4.4491                 3.9565
 Frc consts  --      0.2753                 0.7095                 0.6926
 IR Inten    --      1.5002                 1.9851                 2.9371
 RamAct Fr= 1--      2.2991                 1.9009                 2.0155
  Dep-P Fr= 1--      0.0726                 0.6108                 0.5712
  Dep-U Fr= 1--      0.1353                 0.7584                 0.7271
 Alpha2 Fr= 1--      0.0430                 0.0049                 0.0068
 Beta2  Fr= 1--      0.0519                 0.2403                 0.2442
 AlphaG Fr= 1--     -0.0159                -0.0082                 0.0164
 Gamma2 Fr= 1--     -0.3056                 0.7033                -0.6373
 Delta2 Fr= 1--     -0.0523                -0.0122                 0.0887
 Raman1 Fr= 1--       9.196                  7.603                  8.062
 ROA1   Fr= 1--     -31.014                 67.126                -58.339
 CID1   Fr= 1--      -3.372                  8.828                 -7.236
 Raman2 Fr= 1--       0.622                  2.883                  2.931
 ROA2   Fr= 1--      -6.916                 16.976                -16.005
 CID2   Fr= 1--     -11.114                  5.888                 -5.461
 Raman3 Fr= 1--       1.245                  5.766                  5.861
 ROA3   Fr= 1--     -31.014                 67.126                -58.339
 CID3   Fr= 1--     -24.919                 11.641                 -9.953
 RC180  Fr= 1--      -0.729                  0.517                  0.454
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.16   0.05  -0.14     0.05   0.00  -0.01    -0.07  -0.03   0.04
     2   6     0.16   0.08   0.05     0.09  -0.19  -0.10    -0.06  -0.02  -0.08
     3   6     0.05  -0.02   0.10    -0.01  -0.16   0.11    -0.00  -0.01   0.24
     4   6    -0.01  -0.05   0.07     0.02   0.08   0.20     0.07  -0.17   0.16
     5   8    -0.09  -0.05  -0.01    -0.11   0.11   0.03     0.14   0.02  -0.09
     6   6    -0.12  -0.04   0.04    -0.04   0.04  -0.06    -0.03   0.06  -0.13
     7   7     0.03   0.05  -0.02    -0.14  -0.13  -0.05     0.04   0.18   0.02
     8   8    -0.11  -0.00  -0.02     0.19   0.15  -0.08    -0.08  -0.09  -0.10
     9   1    -0.02  -0.07   0.09    -0.20  -0.24   0.09    -0.23  -0.01   0.24
    10   1     0.18   0.09   0.02     0.12  -0.17  -0.12    -0.18   0.04  -0.14
    11   1    -0.17  -0.02  -0.00    -0.05   0.09   0.05     0.22   0.00  -0.18
    12   1    -0.06   0.13   0.03    -0.18   0.09  -0.01    -0.13   0.42   0.12
    13   1     0.14  -0.04  -0.06    -0.28  -0.10  -0.13     0.21  -0.05  -0.16
    14   1    -0.29   0.08  -0.27    -0.13   0.21  -0.07    -0.02   0.11  -0.03
    15   1    -0.29  -0.21   0.20    -0.10   0.04   0.29    -0.01   0.11  -0.01
    16   1    -0.17  -0.14   0.19    -0.11   0.22  -0.28    -0.05   0.18  -0.28
    17   1    -0.03  -0.06  -0.16     0.09   0.12   0.01     0.08   0.02   0.05
    18   1     0.32   0.10  -0.28    -0.15  -0.02   0.11    -0.18  -0.05   0.13
    19   1     0.15   0.01  -0.26     0.16   0.13  -0.02    -0.07  -0.01   0.16
                     13                     14                     15
                      A                      A                      A
 Frequencies --    608.0886               734.0025               810.7170
 Red. masses --      2.6355                 6.0022                 2.4912
 Frc consts  --      0.5742                 1.9053                 0.9647
 IR Inten    --      9.9354                 8.8088                35.9143
 RamAct Fr= 1--      1.8201                 8.3662                 2.4098
  Dep-P Fr= 1--      0.1454                 0.0315                 0.0833
  Dep-U Fr= 1--      0.2539                 0.0610                 0.1538
 Alpha2 Fr= 1--      0.0285                 0.1727                 0.0439
 Beta2  Fr= 1--      0.0770                 0.0851                 0.0618
 AlphaG Fr= 1--      0.0151                 0.0192                -0.0449
 Gamma2 Fr= 1--      0.2018                -0.7137                -0.5658
 Delta2 Fr= 1--      0.2010                -0.1606                -0.1531
 Raman1 Fr= 1--       7.280                 33.465                  9.639
 ROA1   Fr= 1--      25.801                -73.652                -59.212
 CID1   Fr= 1--       3.544                 -2.201                 -6.143
 Raman2 Fr= 1--       0.924                  1.021                  0.741
 ROA2   Fr= 1--       3.234                -15.843                -12.354
 CID2   Fr= 1--       3.499                -15.522                -16.670
 Raman3 Fr= 1--       1.849                  2.041                  1.482
 ROA3   Fr= 1--      25.801                -73.652                -59.212
 CID3   Fr= 1--      13.956                -36.078                -39.950
 RC180  Fr= 1--      -0.492                 -0.878                 -0.692
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01   0.00    -0.12  -0.03   0.05     0.07   0.01  -0.04
     2   6    -0.07   0.21   0.05    -0.06   0.14   0.04    -0.01  -0.08  -0.07
     3   6    -0.14  -0.06   0.01     0.12  -0.01  -0.03    -0.10   0.05  -0.14
     4   6    -0.04  -0.06   0.10     0.32   0.06   0.22     0.07  -0.04   0.14
     5   8     0.01   0.11   0.00     0.05  -0.19  -0.14     0.03  -0.01  -0.07
     6   6    -0.00   0.01   0.00    -0.02   0.05  -0.06     0.00  -0.06   0.15
     7   7     0.03  -0.10  -0.03    -0.04  -0.18  -0.07    -0.07   0.11   0.04
     8   8     0.10  -0.03  -0.08    -0.15   0.23   0.05    -0.02   0.03  -0.02
     9   1    -0.31  -0.15  -0.01    -0.05  -0.16  -0.06    -0.38   0.04  -0.15
    10   1     0.04   0.16   0.08    -0.07   0.12   0.07    -0.03  -0.11  -0.01
    11   1     0.21   0.04  -0.02    -0.39  -0.07   0.13     0.04  -0.09   0.27
    12   1     0.13  -0.25  -0.09    -0.10  -0.19  -0.04     0.34  -0.33  -0.18
    13   1     0.23  -0.23  -0.04    -0.21  -0.00   0.05     0.33  -0.07   0.11
    14   1     0.04  -0.11  -0.05     0.04  -0.08  -0.08     0.04  -0.06   0.26
    15   1     0.01  -0.04  -0.29     0.01   0.02  -0.35     0.04  -0.01   0.16
    16   1     0.07  -0.19   0.25     0.06  -0.11   0.12     0.03  -0.01   0.09
    17   1     0.10  -0.15  -0.04    -0.11  -0.11   0.03     0.12   0.14  -0.02
    18   1     0.34   0.01  -0.12     0.04  -0.02  -0.02    -0.12  -0.01   0.06
    19   1    -0.20  -0.25   0.08    -0.23  -0.16   0.07     0.19   0.15  -0.03
                     16                     17                     18
                      A                      A                      A
 Frequencies --    840.2984               876.6753               901.0411
 Red. masses --      2.1115                 1.2958                 1.8198
 Frc consts  --      0.8784                 0.5868                 0.8705
 IR Inten    --     49.1301                70.6109                59.7516
 RamAct Fr= 1--      5.0691                 1.3777                 2.7308
  Dep-P Fr= 1--      0.0245                 0.5422                 0.5746
  Dep-U Fr= 1--      0.0478                 0.7031                 0.7299
 Alpha2 Fr= 1--      0.1064                 0.0055                 0.0090
 Beta2  Fr= 1--      0.0404                 0.1614                 0.3322
 AlphaG Fr= 1--      0.0157                 0.0359                -0.0098
 Gamma2 Fr= 1--     -0.1119                -0.4160                 0.6131
 Delta2 Fr= 1--     -0.0567                -0.2116                 0.2500
 Raman1 Fr= 1--      20.276                  5.511                 10.923
 ROA1   Fr= 1--     -12.554                -46.704                 66.858
 CID1   Fr= 1--      -0.619                 -8.475                  6.121
 Raman2 Fr= 1--       0.484                  1.937                  3.986
 ROA2   Fr= 1--      -2.231                 -8.291                 12.715
 CID2   Fr= 1--      -4.606                 -4.279                  3.190
 Raman3 Fr= 1--       0.969                  3.875                  7.972
 ROA3   Fr= 1--     -12.554                -46.704                 66.858
 CID3   Fr= 1--     -12.958                -12.053                  8.386
 RC180  Fr= 1--      -0.904                  0.406                  0.460
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02  -0.00    -0.04  -0.03   0.04     0.07   0.06  -0.07
     2   6    -0.00   0.01  -0.02     0.05   0.01   0.04    -0.10   0.01  -0.06
     3   6     0.08   0.10  -0.11     0.06  -0.00  -0.03    -0.05   0.01   0.09
     4   6    -0.02  -0.10   0.15    -0.02  -0.02   0.01    -0.01   0.04  -0.06
     5   8    -0.07   0.06   0.02    -0.04   0.04  -0.03     0.03  -0.03  -0.04
     6   6    -0.01  -0.01   0.05     0.01   0.02  -0.06    -0.03  -0.05   0.09
     7   7     0.10  -0.03  -0.04    -0.02   0.04  -0.02     0.06  -0.07  -0.06
     8   8     0.00  -0.05  -0.06     0.01  -0.03   0.00    -0.00   0.02   0.03
     9   1    -0.06   0.09  -0.11     0.08  -0.06  -0.03    -0.09   0.06   0.10
    10   1    -0.07  -0.01   0.03     0.05  -0.00   0.04    -0.15   0.06  -0.11
    11   1     0.07   0.05  -0.20     0.30  -0.28   0.82     0.19  -0.21   0.53
    12   1    -0.43   0.03   0.21    -0.09  -0.07   0.01    -0.41   0.20   0.18
    13   1    -0.46   0.50   0.27     0.15   0.03   0.11    -0.17   0.07  -0.04
    14   1     0.04  -0.07   0.09    -0.03   0.03  -0.16     0.04  -0.04   0.29
    15   1     0.02  -0.01  -0.05    -0.02  -0.01  -0.04     0.05   0.03   0.08
    16   1     0.03  -0.05   0.08    -0.02  -0.01  -0.01     0.03   0.05  -0.05
    17   1    -0.05   0.05   0.02    -0.18  -0.07   0.04     0.32   0.11  -0.07
    18   1    -0.14  -0.01   0.04    -0.04   0.00  -0.02     0.08  -0.01   0.03
    19   1     0.08   0.08  -0.04    -0.00   0.01  -0.04    -0.03  -0.04   0.08
                     19                     20                     21
                      A                      A                      A
 Frequencies --    937.7901               971.2686               998.8809
 Red. masses --      1.1897                 1.4691                 2.0701
 Frc consts  --      0.6165                 0.8165                 1.2169
 IR Inten    --      1.4996                 1.6942                59.9589
 RamAct Fr= 1--      0.5235                 2.3910                 1.8960
  Dep-P Fr= 1--      0.6593                 0.7493                 0.7281
  Dep-U Fr= 1--      0.7947                 0.8567                 0.8426
 Alpha2 Fr= 1--      0.0008                 0.0000                 0.0007
 Beta2  Fr= 1--      0.0693                 0.3414                 0.2663
 AlphaG Fr= 1--      0.0021                -0.0002                -0.0074
 Gamma2 Fr= 1--      0.2772                 0.0190                 1.0769
 Delta2 Fr= 1--      0.2575                -0.1136                 0.7490
 Raman1 Fr= 1--       2.094                  9.564                  7.584
 ROA1   Fr= 1--      34.852                 -1.811                127.352
 CID1   Fr= 1--      16.645                 -0.189                 16.793
 Raman2 Fr= 1--       0.832                  4.097                  3.195
 ROA2   Fr= 1--       4.592                  1.365                 19.855
 CID2   Fr= 1--       5.520                  0.333                  6.214
 Raman3 Fr= 1--       1.664                  8.194                  6.391
 ROA3   Fr= 1--      34.852                 -1.811                127.352
 CID3   Fr= 1--      20.946                 -0.221                 19.928
 RC180  Fr= 1--       0.589                  0.713                  0.685
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.04   0.06    -0.12   0.02   0.02    -0.03   0.04  -0.07
     2   6    -0.02  -0.02   0.03     0.07   0.03  -0.06    -0.07   0.05  -0.04
     3   6     0.00   0.01  -0.02    -0.03   0.01  -0.03     0.22   0.00   0.01
     4   6     0.01  -0.01   0.02     0.00   0.00   0.01     0.03  -0.05   0.02
     5   8    -0.00   0.00  -0.00     0.01  -0.01  -0.01    -0.08   0.06   0.04
     6   6    -0.05  -0.06  -0.03     0.09  -0.06   0.05    -0.03  -0.04   0.05
     7   7     0.00   0.01   0.00     0.02   0.01   0.00    -0.08  -0.02  -0.00
     8   8    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.04  -0.02
     9   1     0.02  -0.00  -0.02    -0.08   0.01  -0.03     0.48  -0.03   0.00
    10   1     0.18   0.13  -0.26     0.26   0.08  -0.21    -0.27   0.18  -0.18
    11   1    -0.00   0.00  -0.01     0.00  -0.00  -0.01    -0.03   0.04   0.02
    12   1     0.01  -0.02  -0.00    -0.05  -0.01   0.03     0.26  -0.10  -0.16
    13   1    -0.01   0.02   0.02    -0.06   0.10   0.06     0.22  -0.23  -0.06
    14   1     0.08   0.02   0.42    -0.12   0.18  -0.18     0.02   0.01   0.24
    15   1     0.12   0.16   0.02    -0.06  -0.11   0.56     0.05   0.06   0.09
    16   1     0.09   0.20  -0.41    -0.15   0.09  -0.06     0.01   0.07  -0.11
    17   1    -0.33  -0.25   0.01     0.11  -0.13  -0.03     0.35   0.11  -0.07
    18   1     0.34   0.16  -0.27     0.20  -0.05   0.00     0.02  -0.07   0.10
    19   1    -0.01  -0.06  -0.18    -0.42  -0.31   0.17    -0.19  -0.10   0.18
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1036.9251              1085.8003              1163.0615
 Red. masses --      1.9089                 1.5880                 1.9981
 Frc consts  --      1.2093                 1.1030                 1.5925
 IR Inten    --      6.7725                 8.3868                 2.8017
 RamAct Fr= 1--      4.7426                 3.7431                 2.3889
  Dep-P Fr= 1--      0.3017                 0.6380                 0.4059
  Dep-U Fr= 1--      0.4635                 0.7790                 0.5774
 Alpha2 Fr= 1--      0.0484                 0.0076                 0.0173
 Beta2  Fr= 1--      0.3664                 0.4860                 0.2299
 AlphaG Fr= 1--     -0.0121                -0.0112                -0.0047
 Gamma2 Fr= 1--      0.6024                 0.9815                 0.6933
 Delta2 Fr= 1--     -0.3227                 0.3889                 0.2120
 Raman1 Fr= 1--      18.970                 14.972                  9.556
 ROA1   Fr= 1--      47.507                106.669                 73.346
 CID1   Fr= 1--       2.504                  7.124                  7.676
 Raman2 Fr= 1--       4.397                  5.832                  2.759
 ROA2   Fr= 1--      17.040                 20.445                 14.944
 CID2   Fr= 1--       3.876                  3.506                  5.417
 Raman3 Fr= 1--       8.794                 11.663                  5.517
 ROA3   Fr= 1--      47.507                106.669                 73.346
 CID3   Fr= 1--       5.402                  9.146                 13.294
 RC180  Fr= 1--      -0.073                  0.558                  0.155
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.07   0.03    -0.05  -0.04   0.05    -0.03  -0.11  -0.01
     2   6     0.03   0.06   0.03     0.08   0.02  -0.13     0.08   0.16  -0.07
     3   6    -0.04   0.18   0.07     0.04   0.03   0.01     0.03  -0.13   0.03
     4   6    -0.00  -0.01  -0.00     0.04  -0.01  -0.04    -0.07   0.04  -0.04
     5   8     0.01   0.01  -0.00    -0.03   0.03   0.02     0.02  -0.03  -0.00
     6   6     0.06  -0.05  -0.02    -0.03   0.03   0.09    -0.05  -0.03   0.05
     7   7    -0.01  -0.12  -0.07    -0.02  -0.05   0.01     0.01   0.05   0.01
     8   8    -0.01  -0.02  -0.00    -0.01  -0.02  -0.00     0.01   0.03   0.02
     9   1    -0.05   0.14   0.06    -0.26   0.47   0.10    -0.18  -0.44  -0.04
    10   1    -0.38   0.25  -0.14     0.28  -0.01  -0.15     0.01   0.31  -0.28
    11   1    -0.00   0.01  -0.01    -0.05   0.02   0.08     0.07  -0.03  -0.09
    12   1     0.11  -0.22  -0.14    -0.02   0.31   0.04     0.02  -0.18  -0.01
    13   1     0.06  -0.18  -0.09     0.08  -0.32  -0.29    -0.04   0.23   0.21
    14   1    -0.09   0.17  -0.12     0.07  -0.14   0.14     0.04  -0.02   0.27
    15   1    -0.01  -0.03   0.42     0.02   0.01  -0.22     0.09   0.11  -0.01
    16   1    -0.12   0.12  -0.16     0.10  -0.11   0.23     0.09   0.03  -0.06
    17   1    -0.25   0.04   0.07    -0.23  -0.10   0.04    -0.13   0.12   0.05
    18   1    -0.23   0.02  -0.00    -0.07   0.01  -0.03    -0.40  -0.08   0.10
    19   1     0.29   0.23  -0.12    -0.00  -0.01  -0.07     0.15   0.13   0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1200.1039              1204.6202              1218.4120
 Red. masses --      1.9731                 2.0581                 2.4615
 Frc consts  --      1.6743                 1.7596                 2.1529
 IR Inten    --     11.3107                 5.1388                13.8535
 RamAct Fr= 1--      0.7365                 3.0759                 4.4383
  Dep-P Fr= 1--      0.7204                 0.7426                 0.1970
  Dep-U Fr= 1--      0.8375                 0.8523                 0.3291
 Alpha2 Fr= 1--      0.0004                 0.0004                 0.0608
 Beta2  Fr= 1--      0.1028                 0.4369                 0.2434
 AlphaG Fr= 1--     -0.0036                 0.0002                 0.0055
 Gamma2 Fr= 1--     -0.6221                 0.1935                 0.1167
 Delta2 Fr= 1--     -0.0091                -0.5931                 0.3159
 Raman1 Fr= 1--       2.946                 12.303                 17.753
 ROA1   Fr= 1--     -60.009                 -0.406                 21.316
 CID1   Fr= 1--     -20.370                 -0.033                  1.201
 Raman2 Fr= 1--       1.234                  5.243                  2.921
 ROA2   Fr= 1--     -14.857                  9.389                  0.274
 CID2   Fr= 1--     -12.044                  1.791                  0.094
 Raman3 Fr= 1--       2.467                 10.486                  5.842
 ROA3   Fr= 1--     -60.009                 -0.406                 21.316
 CID3   Fr= 1--     -24.323                 -0.039                  3.648
 RC180  Fr= 1--       0.675                  0.705                 -0.342
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.03   0.03    -0.03  -0.05  -0.08     0.06   0.00   0.06
     2   6    -0.11   0.08  -0.02     0.07   0.09   0.14    -0.11   0.01  -0.07
     3   6     0.02  -0.12  -0.14    -0.09  -0.02  -0.08    -0.03  -0.09   0.01
     4   6    -0.07   0.01   0.07     0.12  -0.03  -0.03     0.22  -0.03  -0.12
     5   8     0.01  -0.04  -0.02    -0.03   0.05   0.02    -0.06   0.10   0.06
     6   6     0.08  -0.02   0.01    -0.04  -0.08  -0.06     0.06   0.02   0.03
     7   7     0.01   0.01   0.08     0.02  -0.01   0.04     0.02   0.04   0.02
     8   8     0.02   0.05   0.00    -0.01  -0.02  -0.01    -0.02  -0.07  -0.01
     9   1     0.23   0.20  -0.07    -0.06   0.14  -0.05    -0.17  -0.36  -0.06
    10   1    -0.21   0.11  -0.04     0.22  -0.01   0.26    -0.25   0.07  -0.12
    11   1     0.18  -0.08  -0.05    -0.24   0.09   0.15    -0.48   0.20   0.24
    12   1    -0.12   0.52   0.18    -0.11   0.30   0.13    -0.07  -0.03   0.05
    13   1     0.08  -0.27  -0.26    -0.03  -0.15  -0.18    -0.11   0.16   0.09
    14   1    -0.07   0.12  -0.15    -0.01   0.07   0.20    -0.04   0.06  -0.18
    15   1    -0.05  -0.11   0.25     0.11   0.11   0.06    -0.08  -0.12   0.13
    16   1    -0.17   0.04  -0.00     0.03   0.16  -0.40    -0.13  -0.04   0.16
    17   1    -0.17   0.01   0.05     0.21   0.20  -0.03    -0.21  -0.07   0.05
    18   1    -0.06   0.08  -0.09    -0.25  -0.15   0.20     0.04   0.12  -0.15
    19   1     0.18   0.11  -0.13     0.02   0.06   0.17     0.12   0.04  -0.16
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1283.0620              1354.2961              1370.4179
 Red. masses --      1.3086                 1.4808                 1.3611
 Frc consts  --      1.2693                 1.6002                 1.5061
 IR Inten    --      0.4390                 0.2728                 1.1677
 RamAct Fr= 1--      4.6351                 4.8240                 5.0856
  Dep-P Fr= 1--      0.6214                 0.6288                 0.7007
  Dep-U Fr= 1--      0.7665                 0.7721                 0.8240
 Alpha2 Fr= 1--      0.0109                 0.0106                 0.0044
 Beta2  Fr= 1--      0.5921                 0.6208                 0.6984
 AlphaG Fr= 1--      0.0042                 0.0151                -0.0061
 Gamma2 Fr= 1--     -0.3278                -0.9883                -1.1080
 Delta2 Fr= 1--     -0.8405                -0.9040                -0.6985
 Raman1 Fr= 1--      18.540                 19.296                 20.342
 ROA1   Fr= 1--     -58.364               -123.805               -128.723
 CID1   Fr= 1--      -3.148                 -6.416                 -6.328
 Raman2 Fr= 1--       7.106                  7.449                  8.381
 ROA2   Fr= 1--      -1.143                -16.488                -21.004
 CID2   Fr= 1--      -0.161                 -2.213                 -2.506
 Raman3 Fr= 1--      14.212                 14.899                 16.763
 ROA3   Fr= 1--     -58.364               -123.805               -128.723
 CID3   Fr= 1--      -4.107                 -8.310                 -7.679
 RC180  Fr= 1--       0.533                  0.544                  0.648
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.03  -0.00     0.03  -0.05  -0.03     0.02   0.01   0.04
     2   6     0.02  -0.01  -0.03    -0.17   0.03   0.02     0.02   0.08  -0.12
     3   6    -0.14   0.02   0.01     0.06   0.01   0.05    -0.02  -0.05   0.04
     4   6     0.03  -0.02   0.05    -0.00  -0.00  -0.01    -0.00  -0.00   0.01
     5   8     0.01   0.01  -0.01    -0.00  -0.00   0.00     0.01   0.00  -0.00
     6   6    -0.01   0.04   0.02     0.04  -0.01  -0.01    -0.01  -0.05  -0.02
     7   7     0.01  -0.00  -0.00    -0.02   0.00  -0.03    -0.00   0.02  -0.03
     8   8    -0.00  -0.00  -0.01    -0.00   0.00   0.00     0.00   0.00  -0.00
     9   1     0.83  -0.09   0.00    -0.09   0.15   0.08     0.31   0.27   0.12
    10   1     0.27   0.12  -0.32     0.85  -0.13  -0.03    -0.08  -0.39   0.65
    11   1    -0.10   0.03   0.07     0.01  -0.00  -0.01    -0.08   0.03   0.03
    12   1    -0.04  -0.03   0.02     0.07  -0.13  -0.08     0.03  -0.18  -0.06
    13   1    -0.04   0.00  -0.03     0.00   0.09   0.11    -0.03   0.12   0.09
    14   1     0.04  -0.07   0.02    -0.04   0.11  -0.03     0.01   0.06   0.20
    15   1    -0.03  -0.01  -0.06    -0.03  -0.07   0.07     0.05   0.06   0.18
    16   1     0.05  -0.07   0.15    -0.15   0.02   0.01    -0.00  -0.03  -0.04
    17   1    -0.00   0.03   0.01     0.02   0.17   0.02    -0.14  -0.05   0.03
    18   1    -0.10  -0.02   0.01    -0.11  -0.00  -0.04    -0.06   0.08  -0.06
    19   1     0.06   0.04  -0.03     0.14   0.10   0.01    -0.06  -0.09  -0.07
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1402.7396              1406.8571              1413.4348
 Red. masses --      1.3086                 1.2435                 1.5704
 Frc consts  --      1.5171                 1.4501                 1.8485
 IR Inten    --      8.6364                 5.8646               418.8900
 RamAct Fr= 1--      1.4712                 0.1986                 3.2577
  Dep-P Fr= 1--      0.4571                 0.7382                 0.2367
  Dep-U Fr= 1--      0.6275                 0.8494                 0.3827
 Alpha2 Fr= 1--      0.0088                 0.0000                 0.0401
 Beta2  Fr= 1--      0.1539                 0.0281                 0.2078
 AlphaG Fr= 1--     -0.0065                 0.0001                -0.0292
 Gamma2 Fr= 1--      0.8670                -0.1635                 0.0294
 Delta2 Fr= 1--      0.2809                -0.0726                -0.0306
 Raman1 Fr= 1--       5.885                  0.794                 13.031
 ROA1   Fr= 1--      92.218                -18.022                  1.842
 CID1   Fr= 1--      15.670                -22.685                  0.141
 Raman2 Fr= 1--       1.846                  0.337                  2.494
 ROA2   Fr= 1--      18.560                 -3.344                  0.951
 CID2   Fr= 1--      10.053                 -9.911                  0.381
 Raman3 Fr= 1--       3.693                  0.675                  4.988
 ROA3   Fr= 1--      92.218                -18.022                  1.842
 CID3   Fr= 1--      24.974                -26.708                  0.369
 RC180  Fr= 1--       0.255                  0.699                 -0.235
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02  -0.03    -0.09  -0.04   0.04    -0.02  -0.01   0.01
     2   6     0.01  -0.02   0.07     0.01   0.01  -0.02     0.00   0.01  -0.01
     3   6    -0.02  -0.12   0.00    -0.01  -0.03   0.01    -0.05  -0.01   0.02
     4   6     0.02  -0.01   0.00    -0.01   0.00   0.01     0.14  -0.04  -0.06
     5   8    -0.01   0.00   0.00     0.01   0.00  -0.00    -0.11  -0.01   0.03
     6   6     0.01   0.02   0.01     0.00  -0.03   0.09    -0.00  -0.00  -0.01
     7   7     0.01   0.03  -0.05     0.00   0.00  -0.01     0.01   0.02  -0.00
     8   8     0.00   0.01   0.00     0.00  -0.01  -0.00    -0.02   0.05   0.02
     9   1    -0.01   0.75   0.20     0.06   0.13   0.04     0.06   0.00   0.02
    10   1    -0.18   0.23  -0.29    -0.05  -0.02   0.05     0.00  -0.02   0.04
    11   1    -0.02   0.01  -0.00    -0.10   0.04   0.04     0.81  -0.30  -0.38
    12   1     0.06  -0.22  -0.10     0.02  -0.05  -0.02    -0.01  -0.08  -0.00
    13   1    -0.04   0.21   0.17    -0.01   0.06   0.06     0.01  -0.00  -0.02
    14   1    -0.01  -0.02  -0.08    -0.18   0.04  -0.34     0.01   0.01   0.04
    15   1    -0.02  -0.02  -0.07     0.12   0.03  -0.33     0.00   0.01   0.04
    16   1    -0.01   0.02  -0.00     0.04   0.23  -0.29     0.00  -0.03   0.04
    17   1    -0.10  -0.03  -0.02     0.39   0.13   0.04     0.10   0.03   0.01
    18   1    -0.09  -0.04   0.11     0.34   0.05  -0.25     0.10   0.01  -0.07
    19   1    -0.07  -0.07   0.11     0.24   0.29  -0.19     0.08   0.10  -0.06
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1428.2035              1487.3043              1498.4209
 Red. masses --      1.2454                 1.0441                 1.0504
 Frc consts  --      1.4967                 1.3607                 1.3895
 IR Inten    --     10.8866                 0.3416                 3.6108
 RamAct Fr= 1--      0.5790                 6.4172                 1.5111
  Dep-P Fr= 1--      0.2320                 0.7447                 0.6818
  Dep-U Fr= 1--      0.3767                 0.8537                 0.8108
 Alpha2 Fr= 1--      0.0072                 0.0006                 0.0018
 Beta2  Fr= 1--      0.0364                 0.9130                 0.2042
 AlphaG Fr= 1--     -0.0053                 0.0077                -0.0003
 Gamma2 Fr= 1--      0.0384                 0.2080                 0.3446
 Delta2 Fr= 1--      0.1501                 0.2042                -0.0590
 Raman1 Fr= 1--       2.316                 25.669                  6.045
 ROA1   Fr= 1--       8.490                 26.508                 31.196
 CID1   Fr= 1--       3.666                  1.033                  5.161
 Raman2 Fr= 1--       0.436                 10.956                  2.450
 ROA2   Fr= 1--      -0.278                  3.359                  8.743
 CID2   Fr= 1--      -0.638                  0.307                  3.568
 Raman3 Fr= 1--       0.872                 21.913                  4.901
 ROA3   Fr= 1--       8.490                 26.508                 31.196
 CID3   Fr= 1--       9.732                  1.210                  6.365
 RC180  Fr= 1--      -0.247                  0.707                  0.622
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.03   0.02     0.02  -0.03  -0.00    -0.01  -0.01  -0.04
     2   6     0.01  -0.00   0.02    -0.01  -0.00   0.00     0.02   0.00  -0.03
     3   6     0.01  -0.03  -0.01     0.00  -0.00  -0.00    -0.01   0.00   0.00
     4   6    -0.02   0.01   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   8     0.02   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.01   0.03  -0.10    -0.03   0.03   0.01     0.03   0.01   0.01
     7   7     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   8     0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     9   1    -0.07   0.14   0.03    -0.01   0.01   0.00     0.05  -0.04  -0.01
    10   1    -0.06   0.07  -0.06    -0.01  -0.02   0.03    -0.05  -0.04   0.06
    11   1    -0.13   0.05   0.06     0.01  -0.00  -0.01    -0.00  -0.00   0.00
    12   1    -0.01   0.00  -0.00    -0.00  -0.01   0.00     0.01   0.02  -0.00
    13   1    -0.02   0.04   0.02    -0.00  -0.01  -0.02     0.00   0.01   0.03
    14   1     0.20  -0.05   0.39     0.13  -0.43  -0.21     0.09  -0.02   0.17
    15   1    -0.11  -0.00   0.38    -0.12  -0.05   0.27    -0.17  -0.25  -0.18
    16   1    -0.01  -0.28   0.33     0.41   0.04  -0.16    -0.33   0.14  -0.07
    17   1     0.33   0.10   0.02    -0.12   0.45   0.12    -0.37   0.15   0.03
    18   1     0.32  -0.01  -0.16     0.00   0.19  -0.34     0.40  -0.15   0.06
    19   1     0.20   0.27  -0.10    -0.11  -0.12   0.24     0.09   0.23   0.53
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1508.9627              1512.1789              1656.6973
 Red. masses --      1.0588                 1.0417                 1.0924
 Frc consts  --      1.4204                 1.4034                 1.7666
 IR Inten    --      7.9895                11.2712                30.6669
 RamAct Fr= 1--      1.8325                 5.8127                 3.2209
  Dep-P Fr= 1--      0.6555                 0.6944                 0.3942
  Dep-U Fr= 1--      0.7919                 0.8196                 0.5655
 Alpha2 Fr= 1--      0.0031                 0.0057                 0.0244
 Beta2  Fr= 1--      0.2419                 0.7940                 0.3036
 AlphaG Fr= 1--     -0.0019                -0.0038                -0.0062
 Gamma2 Fr= 1--     -0.5566                -0.8032                -0.0488
 Delta2 Fr= 1--     -0.3474                -0.1467                -0.0193
 Raman1 Fr= 1--       7.330                 23.251                 12.884
 ROA1   Fr= 1--     -64.549                -81.803                 -5.301
 CID1   Fr= 1--      -8.806                 -3.518                 -0.411
 Raman2 Fr= 1--       2.902                  9.528                  3.643
 ROA2   Fr= 1--     -10.578                -18.104                 -1.016
 CID2   Fr= 1--      -3.645                 -1.900                 -0.279
 Raman3 Fr= 1--       5.805                 19.057                  7.285
 ROA3   Fr= 1--     -64.549                -81.803                 -5.301
 CID3   Fr= 1--     -11.120                 -4.293                 -0.728
 RC180  Fr= 1--       0.584                  0.639                  0.131
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.03   0.02     0.00  -0.01  -0.02     0.00   0.00   0.00
     2   6     0.04  -0.03   0.02    -0.02  -0.02  -0.01     0.00   0.00  -0.00
     3   6    -0.01   0.01  -0.00     0.00  -0.00  -0.00    -0.03   0.00   0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.01  -0.00  -0.01
     5   8     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     6   6     0.02  -0.01  -0.01    -0.02  -0.03  -0.01    -0.00   0.00  -0.00
     7   7    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.03  -0.06  -0.03
     8   8     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     9   1    -0.01   0.00  -0.01     0.01  -0.00  -0.00     0.02  -0.03  -0.01
    10   1    -0.07   0.04  -0.06    -0.01  -0.00  -0.05    -0.01  -0.00   0.01
    11   1     0.00  -0.00   0.00    -0.01   0.00   0.01     0.02  -0.01  -0.02
    12   1    -0.00   0.02   0.00    -0.02   0.01   0.02     0.30   0.63  -0.11
    13   1     0.01  -0.01   0.00    -0.01  -0.01  -0.02     0.29   0.22   0.59
    14   1    -0.08   0.33   0.22    -0.26   0.34  -0.16    -0.00  -0.01  -0.01
    15   1     0.07   0.00  -0.26     0.39   0.46   0.08     0.01   0.02   0.02
    16   1    -0.37  -0.03   0.14     0.26  -0.25   0.23     0.04  -0.02   0.01
    17   1     0.07   0.44   0.11    -0.23   0.12   0.03    -0.00  -0.01   0.00
    18   1    -0.17   0.28  -0.41     0.21  -0.06  -0.00    -0.01   0.00   0.00
    19   1    -0.20  -0.27   0.01     0.04   0.11   0.32    -0.00  -0.01  -0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1835.0240              3020.2286              3024.9985
 Red. masses --      9.7076                 1.0425                 1.0395
 Frc consts  --     19.2594                 5.6028                 5.6044
 IR Inten    --    289.7659                24.7714                26.6826
 RamAct Fr= 1--     13.2755                31.3040               248.3546
  Dep-P Fr= 1--      0.2666                 0.0673                 0.0046
  Dep-U Fr= 1--      0.4210                 0.1261                 0.0091
 Alpha2 Fr= 1--      0.1501                 0.5933                 5.4605
 Beta2  Fr= 1--      0.9314                 0.6581                 0.3763
 AlphaG Fr= 1--      0.1567                 0.1119                 0.1727
 Gamma2 Fr= 1--      1.4490                 0.1028                -0.1083
 Delta2 Fr= 1--      0.4448                -0.3071                 0.4574
 Raman1 Fr= 1--      53.102                125.216                993.419
 ROA1   Fr= 1--     153.333                  0.043                  4.240
 CID1   Fr= 1--       2.888                  0.000                  0.004
 Raman2 Fr= 1--      11.177                  7.897                  4.515
 ROA2   Fr= 1--      31.217                  4.925                 -6.258
 CID2   Fr= 1--       2.793                  0.624                 -1.386
 Raman3 Fr= 1--      22.354                 15.794                  9.031
 ROA3   Fr= 1--     153.333                  0.043                  4.240
 CID3   Fr= 1--       6.859                  0.003                  0.470
 RC180  Fr= 1--      -0.158                 -0.748                 -0.982
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01   0.00     0.01   0.01  -0.01    -0.03  -0.03   0.01
     2   6    -0.00   0.01  -0.00     0.00   0.01   0.00     0.00   0.01   0.01
     3   6    -0.02  -0.04  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.01
     4   6     0.13   0.68   0.19     0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   8    -0.04  -0.06  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6     0.00  -0.00  -0.00    -0.01  -0.02  -0.05    -0.00  -0.01  -0.02
     7   7    -0.00  -0.01  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     8   8    -0.08  -0.42  -0.12     0.00   0.00   0.00    -0.00  -0.00   0.00
     9   1     0.02   0.04   0.01    -0.00  -0.01   0.03    -0.00  -0.02   0.11
    10   1     0.06   0.01   0.01    -0.01  -0.07  -0.04    -0.02  -0.10  -0.07
    11   1     0.47  -0.11  -0.20     0.00   0.00  -0.00     0.00   0.00   0.00
    12   1    -0.00   0.01   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    13   1     0.02  -0.02  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    14   1     0.01   0.01   0.04    -0.30  -0.16   0.10    -0.12  -0.07   0.04
    15   1    -0.01  -0.01   0.01     0.24  -0.22   0.03     0.09  -0.09   0.01
    16   1    -0.03   0.01   0.00     0.14   0.61   0.44     0.06   0.27   0.19
    17   1    -0.01  -0.00   0.00     0.02  -0.05   0.23    -0.03   0.11  -0.50
    18   1    -0.02  -0.00   0.01    -0.05  -0.23  -0.14     0.12   0.53   0.33
    19   1     0.02   0.02  -0.01    -0.14   0.12  -0.03     0.29  -0.26   0.05
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3040.3171              3059.6231              3079.7860
 Red. masses --      1.0826                 1.0838                 1.0954
 Frc consts  --      5.8959                 5.9777                 6.1215
 IR Inten    --      8.3639                 1.0313                14.2890
 RamAct Fr= 1--    103.2259                65.8507                26.3749
  Dep-P Fr= 1--      0.1385                 0.7072                 0.6201
  Dep-U Fr= 1--      0.2434                 0.8285                 0.7655
 Alpha2 Fr= 1--      1.6426                 0.0489                 0.0626
 Beta2  Fr= 1--      4.1868                 9.0930                 3.3652
 AlphaG Fr= 1--     -0.1621                -0.1028                 0.0098
 Gamma2 Fr= 1--      2.2084                -9.8393                 7.9162
 Delta2 Fr= 1--      2.0677                -6.2411                 8.1995
 Raman1 Fr= 1--     412.904                263.403                105.500
 ROA1   Fr= 1--     278.176              -1144.288               1022.335
 CID1   Fr= 1--       0.674                 -4.344                  9.690
 Raman2 Fr= 1--      50.242                109.116                 40.382
 ROA2   Fr= 1--      36.461               -186.215                124.392
 CID2   Fr= 1--       0.726                 -1.707                  3.080
 Raman3 Fr= 1--     100.484                218.232                 80.764
 ROA3   Fr= 1--     278.176              -1144.288               1022.335
 CID3   Fr= 1--       2.768                 -5.243                 12.658
 RC180  Fr= 1--      -0.513                  0.657                  0.531
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.01   0.02   0.03     0.00  -0.04  -0.05
     2   6     0.00   0.01   0.00    -0.01  -0.06  -0.04    -0.00  -0.01  -0.00
     3   6     0.00   0.02  -0.08     0.00   0.00  -0.01     0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     5   8    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6     0.00   0.00   0.01     0.00   0.02  -0.00    -0.00   0.06   0.00
     7   7     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     8   8     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     9   1    -0.02  -0.21   0.96    -0.00  -0.02   0.10     0.00  -0.00   0.02
    10   1    -0.02  -0.08  -0.05     0.13   0.70   0.44     0.02   0.08   0.05
    11   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    12   1    -0.01   0.00  -0.01    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    13   1     0.01   0.00  -0.01     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    14   1     0.04   0.02  -0.01    -0.17  -0.08   0.06    -0.30  -0.14   0.11
    15   1    -0.03   0.02  -0.00     0.18  -0.15   0.03     0.39  -0.32   0.07
    16   1    -0.01  -0.06  -0.04    -0.01  -0.05  -0.04    -0.07  -0.27  -0.20
    17   1     0.00  -0.01   0.05    -0.02   0.07  -0.28     0.03  -0.11   0.42
    18   1    -0.01  -0.06  -0.03    -0.05  -0.21  -0.13     0.10   0.43   0.25
    19   1    -0.05   0.04  -0.01     0.13  -0.11   0.03    -0.16   0.12  -0.04
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3088.8254              3096.3625              3107.9720
 Red. masses --      1.0959                 1.0996                 1.1023
 Frc consts  --      6.1605                 6.2112                 6.2733
 IR Inten    --     38.5373                34.1554                20.3724
 RamAct Fr= 1--     66.7189                91.0459                59.3573
  Dep-P Fr= 1--      0.1715                 0.4683                 0.7451
  Dep-U Fr= 1--      0.2928                 0.6379                 0.8540
 Alpha2 Fr= 1--      0.9762                 0.5176                 0.0049
 Beta2  Fr= 1--      3.2557                 9.6790                 8.4481
 AlphaG Fr= 1--     -0.0890                -0.2563                -0.0079
 Gamma2 Fr= 1--     -0.2430                 2.9232                -3.5526
 Delta2 Fr= 1--     -3.1524                 2.9440                -2.9091
 Raman1 Fr= 1--     266.876                364.184                237.429
 ROA1   Fr= 1--    -124.201                374.832               -434.144
 CID1   Fr= 1--      -0.465                  1.029                 -1.829
 Raman2 Fr= 1--      39.069                116.148                101.377
 ROA2   Fr= 1--      19.388                 46.604                -61.990
 CID2   Fr= 1--       0.496                  0.401                 -0.611
 Raman3 Fr= 1--      78.138                232.295                202.753
 ROA3   Fr= 1--    -124.201                374.832               -434.144
 CID3   Fr= 1--      -1.590                  1.614                 -2.141
 RC180  Fr= 1--      -0.414                  0.276                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01  -0.06    -0.05   0.07  -0.03    -0.00   0.01  -0.00
     2   6    -0.01  -0.03  -0.02     0.00   0.02   0.01    -0.00  -0.00  -0.00
     3   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   8    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.05  -0.00     0.01   0.02   0.00    -0.09  -0.00   0.01
     7   7     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     8   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     9   1     0.00  -0.01   0.06     0.00  -0.00   0.00     0.00   0.00  -0.00
    10   1     0.08   0.38   0.24    -0.03  -0.17  -0.10     0.00   0.01   0.00
    11   1     0.00   0.01   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    12   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    14   1     0.22   0.10  -0.08    -0.14  -0.07   0.05     0.65   0.34  -0.24
    15   1    -0.32   0.27  -0.06     0.08  -0.06   0.02     0.45  -0.41   0.08
    16   1     0.07   0.27   0.21    -0.02  -0.10  -0.08    -0.00   0.08   0.06
    17   1     0.02  -0.12   0.50     0.01  -0.07   0.36     0.00  -0.01   0.03
    18   1     0.07   0.31   0.17    -0.06  -0.19  -0.13    -0.00  -0.01  -0.01
    19   1     0.11  -0.10   0.01     0.64  -0.53   0.11     0.06  -0.05   0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3432.5393              3510.7421              3594.0943
 Red. masses --      1.0642                 1.0504                 1.0928
 Frc consts  --      7.3873                 7.6282                 8.3172
 IR Inten    --    250.5299                 0.5864                12.4136
 RamAct Fr= 1--     63.4518                68.0608                43.6881
  Dep-P Fr= 1--      0.0869                 0.0776                 0.5042
  Dep-U Fr= 1--      0.1599                 0.1440                 0.6704
 Alpha2 Fr= 1--      1.1470                 1.2584                 0.2115
 Beta2  Fr= 1--      1.6913                 1.6330                 4.8813
 AlphaG Fr= 1--      0.2940                -0.0294                 0.1385
 Gamma2 Fr= 1--     -0.0938                 1.6034                 0.3993
 Delta2 Fr= 1--      0.6565                 0.0890                -0.2255
 Raman1 Fr= 1--     253.807                272.243                174.752
 ROA1   Fr= 1--      11.999                156.772                 31.119
 CID1   Fr= 1--       0.047                  0.576                  0.178
 Raman2 Fr= 1--      20.295                 19.596                 58.576
 ROA2   Fr= 1--      -7.504                 37.770                 11.387
 CID2   Fr= 1--      -0.370                  1.927                  0.194
 Raman3 Fr= 1--      40.591                 39.192                117.152
 ROA3   Fr= 1--      11.999                156.772                 31.119
 CID3   Fr= 1--       0.296                  4.000                  0.266
 RC180  Fr= 1--      -0.680                 -0.712                  0.341
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     3   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     4   6     0.00  -0.01  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   8    -0.02  -0.05  -0.01     0.00   0.01   0.00     0.00   0.00   0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   7    -0.00  -0.00  -0.00    -0.04  -0.02  -0.03    -0.01  -0.05   0.06
     8   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   1    -0.00  -0.00  -0.00    -0.00   0.00   0.01     0.00   0.00  -0.02
    10   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    11   1     0.35   0.91   0.20    -0.04  -0.08  -0.02    -0.01  -0.01  -0.00
    12   1     0.03  -0.01   0.06     0.35  -0.07   0.76    -0.25   0.03  -0.47
    13   1     0.03   0.04  -0.04     0.22   0.40  -0.30     0.38   0.61  -0.44
    14   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    16   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    17   1     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    18   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    19   1    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  7 and mass  14.00307
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   117.07898 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   592.539251224.836551436.89018
           X            0.99977  -0.02100  -0.00368
           Y            0.02078   0.99844  -0.05181
           Z            0.00476   0.05173   0.99865
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.14617     0.07071     0.06028
 Rotational constants (GHZ):           3.04577     1.47345     1.25600
 Zero-point vibrational energy     432526.0 (Joules/Mol)
                                  103.37620 (Kcal/Mol)
 Warning -- explicit consideration of  13 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     81.56   119.73   265.33   322.19   354.79
          (Kelvin)            389.51   420.28   448.23   522.97   595.48
                              748.56   784.24   874.90  1056.07  1166.44
                             1209.00  1261.34  1296.40  1349.27  1397.44
                             1437.17  1491.90  1562.22  1673.39  1726.68
                             1733.18  1753.02  1846.04  1948.53  1971.73
                             2018.23  2024.15  2033.62  2054.87  2139.90
                             2155.89  2171.06  2175.69  2383.62  2640.19
                             4345.44  4352.30  4374.34  4402.12  4431.13
                             4444.13  4454.98  4471.68  4938.66  5051.17
                             5171.10
 
 Zero-point correction=                           0.164740 (Hartree/Particle)
 Thermal correction to Energy=                    0.173945
 Thermal correction to Enthalpy=                  0.174889
 Thermal correction to Gibbs Free Energy=         0.130814
 Sum of electronic and zero-point Energies=           -402.407876
 Sum of electronic and thermal Energies=              -402.398672
 Sum of electronic and thermal Enthalpies=            -402.397727
 Sum of electronic and thermal Free Energies=         -402.441803
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  109.152             33.640             92.764
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.188
 Rotational               0.889              2.981             28.435
 Vibrational            107.374             27.678             24.141
 Vibration     1          0.596              1.975              4.569
 Vibration     2          0.600              1.961              3.814
 Vibration     3          0.631              1.861              2.283
 Vibration     4          0.649              1.805              1.927
 Vibration     5          0.661              1.768              1.755
 Vibration     6          0.674              1.727              1.592
 Vibration     7          0.687              1.688              1.462
 Vibration     8          0.700              1.652              1.354
 Vibration     9          0.737              1.547              1.107
 Vibration    10          0.777              1.440              0.913
 Vibration    11          0.875              1.205              0.609
 Vibration    12          0.900              1.150              0.554
 Vibration    13          0.967              1.015              0.436
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.676033D-60        -60.170032       -138.546620
 Total V=0       0.402948D+16         15.605249         35.932415
 Vib (Bot)       0.371399D-73        -73.430160       -169.079191
 Vib (Bot)    1  0.364411D+01          0.561592          1.293113
 Vib (Bot)    2  0.247351D+01          0.393314          0.905638
 Vib (Bot)    3  0.108744D+01          0.036404          0.083822
 Vib (Bot)    4  0.881852D+00         -0.054604         -0.125731
 Vib (Bot)    5  0.792745D+00         -0.100867         -0.232254
 Vib (Bot)    6  0.713606D+00         -0.146542         -0.337424
 Vib (Bot)    7  0.653910D+00         -0.184482         -0.424786
 Vib (Bot)    8  0.606423D+00         -0.217224         -0.500178
 Vib (Bot)    9  0.503089D+00         -0.298355         -0.686988
 Vib (Bot)   10  0.426228D+00         -0.370358         -0.852782
 Vib (Bot)   11  0.310171D+00         -0.508399         -1.170631
 Vib (Bot)   12  0.289267D+00         -0.538701         -1.240405
 Vib (Bot)   13  0.243510D+00         -0.613482         -1.412595
 Vib (V=0)       0.221372D+03          2.345122          5.399843
 Vib (V=0)    1  0.417826D+01          0.620995          1.429894
 Vib (V=0)    2  0.302354D+01          0.480516          1.106428
 Vib (V=0)    3  0.169688D+01          0.229651          0.528790
 Vib (V=0)    4  0.151374D+01          0.180050          0.414581
 Vib (V=0)    5  0.143725D+01          0.157533          0.362734
 Vib (V=0)    6  0.137134D+01          0.137145          0.315788
 Vib (V=0)    7  0.132316D+01          0.121614          0.280025
 Vib (V=0)    8  0.128597D+01          0.109231          0.251513
 Vib (V=0)    9  0.120929D+01          0.082532          0.190037
 Vib (V=0)   10  0.115702D+01          0.063339          0.145844
 Vib (V=0)   11  0.108839D+01          0.036786          0.084702
 Vib (V=0)   12  0.107765D+01          0.032476          0.074779
 Vib (V=0)   13  0.105615D+01          0.023724          0.054626
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.497935D+08          7.697172         17.723394
 Rotational      0.365557D+06          5.562955         12.809177
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  3  3       33333333                                         1     1 1111111111 11111  1 1                                    
     5  5  4       10000000                                         8     6 5544444433 22221  0 0999 9888  7   6 55   4 3322221      
     9  1  3       09886422                                         3     5 1098210075 81006  8 3973 0741  3   0 42   1 6197428  85  
     4  1  3       86900050                                         5     7 2987837304 38503  6 7918 1701  4   8 50   4 3221744  37  
 
     X  X  X       XXXXXXXX                                         X     X XXXXXXXXXX XXXXX  X XXXX XXXX  X   X XX   X XXXXXXX  XX  
           X        XX                                              X            X               X   XXXX                            
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 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000015325   -0.000004427    0.000005460
      2        6           0.000011094   -0.000005694    0.000009687
      3        6          -0.000019417   -0.000006989    0.000032086
      4        6           0.000056109    0.000002611   -0.000022541
      5        8          -0.000023973    0.000023698    0.000014541
      6        6           0.000010779    0.000014654   -0.000015470
      7        7          -0.000001345    0.000007251   -0.000005182
      8        8          -0.000013696    0.000007950    0.000012184
      9        1           0.000003608    0.000014301    0.000000578
     10        1           0.000003217   -0.000004792   -0.000010989
     11        1          -0.000002930   -0.000027696   -0.000005252
     12        1           0.000002088   -0.000010682   -0.000013350
     13        1           0.000000380   -0.000004749   -0.000001735
     14        1          -0.000000278    0.000000118    0.000001144
     15        1          -0.000007111   -0.000003138   -0.000002317
     16        1           0.000000880   -0.000000492   -0.000003591
     17        1          -0.000001770   -0.000004311    0.000003105
     18        1          -0.000000908    0.000001860   -0.000001180
     19        1          -0.000001402    0.000000528    0.000002821
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000056109 RMS     0.000013029
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.843152D+02  0.664055D-01 -0.189115D+01
      2   0.664055D-01  0.789535D+02  0.143563D+01
      3  -0.189115D+01  0.143563D+01  0.694149D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.585712D+00 -0.363495D+00  0.127229D+01
      2   0.252942D+01 -0.791850D+01  0.327267D+02
      3   0.570618D+01 -0.161882D+02  0.837230D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.706444D+02 -0.710149D+01 -0.233886D+01
      2  -0.399407D+02  0.722474D+01 -0.693178D+00
      3  -0.307036D+02 -0.123257D+00  0.303204D+01
      4  -0.492408D+01  0.362804D+02 -0.205831D+02
      5   0.503319D+01 -0.225310D+02  0.715618D+02
      6  -0.881206D+01  0.668039D+01 -0.396431D+00
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.951429D+00  0.382495D+01 -0.221522D+01  0.438598D+01 -0.280547D+01
      2   0.382495D+01 -0.238782D+01 -0.968543D+00 -0.280547D+01 -0.208004D+01
      3  -0.221522D+01 -0.968543D+00  0.594884D+00 -0.865179D+00 -0.207247D+01
                 6             7             8             9            10 
      1  -0.865179D+00 -0.235695D+01 -0.555656D+00 -0.261918D+00  0.193219D+01
      2  -0.207247D+01 -0.555656D+00 -0.204897D+01 -0.287992D+01 -0.339969D+01
      3  -0.256373D+01 -0.261918D+00 -0.287992D+01  0.598275D+01  0.250773D+01
                11            12            13            14            15 
      1  -0.339969D+01  0.250773D+01 -0.455327D+01  0.163669D+01  0.944272D+00
      2   0.171348D+01  0.110797D+01  0.163669D+01  0.240687D+01  0.230517D+01
      3   0.110797D+01 -0.258832D+00  0.944272D+00  0.230517D+01  0.300788D+01
                16            17            18            19            20 
      1   0.282274D+01  0.717845D+00 -0.501069D-01 -0.908577D+00  0.318467D+01
      2   0.717845D+00  0.203502D+01  0.340622D+01  0.318467D+01 -0.685108D+00
      3  -0.501069D-01  0.340622D+01 -0.361148D+01 -0.572149D+00 -0.175308D+00
                21            22            23            24            25 
      1  -0.572149D+00  0.378780D+01  0.624086D-01  0.241273D+00 -0.657865D+00
      2  -0.175308D+00  0.624086D-01 -0.192425D+01 -0.986173D+00  0.729512D+00
      3   0.306464D-01  0.241273D+00 -0.986173D+00 -0.117988D+01  0.594482D-01
                26            27            28            29            30 
      1   0.729512D+00  0.594482D-01 -0.150277D+01 -0.213526D+01 -0.296376D+00
      2  -0.918893D+00 -0.210347D+01 -0.213526D+01  0.494631D+00  0.713740D+00
      3  -0.210347D+01  0.538850D+01 -0.296376D+00  0.713740D+00 -0.783344D-01
                31            32            33            34            35 
      1  -0.887787D-01  0.167432D+01  0.876055D+00  0.348729D-02  0.111733D+01
      2   0.167432D+01  0.548779D+01  0.163106D+01  0.111733D+01  0.197906D+01
      3   0.876055D+00  0.163106D+01  0.899656D+00  0.320988D+00  0.856864D+00
                36            37            38            39            40 
      1   0.320988D+00 -0.798773D+01  0.129255D+01  0.146855D+01 -0.206175D+01
      2   0.856864D+00  0.129255D+01 -0.212843D+01 -0.568244D+00 -0.352954D+01
      3   0.408383D-01  0.146855D+01 -0.568244D+00 -0.118706D+01 -0.154630D+00
                41            42            43            44            45 
      1  -0.352954D+01 -0.154630D+00  0.135757D+01 -0.745862D+00 -0.192767D+01
      2  -0.144411D+01 -0.251866D+00 -0.745862D+00 -0.604880D+00  0.635890D+00
      3  -0.251866D+00 -0.826389D-02 -0.192767D+01  0.635890D+00  0.190076D+01
                46            47            48            49            50 
      1   0.469700D+00  0.449405D+01 -0.280690D+01  0.446723D+01 -0.179520D+01
      2   0.449405D+01 -0.200277D+01 -0.811990D+00 -0.179520D+01 -0.528760D+00
      3  -0.280690D+01 -0.811990D+00  0.393277D+00 -0.899001D+00 -0.278134D+01
                51            52            53            54            55 
      1  -0.899001D+00 -0.211151D+01 -0.866292D+00  0.318868D+00 -0.980253D+00
      2  -0.278134D+01 -0.866292D+00 -0.224380D+01 -0.308559D+01 -0.119014D+01
      3  -0.242578D+01  0.318868D+00 -0.308559D+01  0.238085D+01 -0.902299D-01
                56            57            58            59            60 
      1  -0.119014D+01 -0.902299D-01 -0.106294D+01 -0.257021D+01  0.179886D+00
      2  -0.278323D+01  0.231211D+00 -0.257021D+01  0.207768D+01  0.203767D+01
      3   0.231211D+00 -0.200279D+01  0.179886D+00  0.203767D+01  0.811415D-01
                61            62            63            64            65 
      1   0.939372D-01  0.438002D+00 -0.224244D+01 -0.177803D+01 -0.277014D+01
      2   0.438002D+00  0.225118D+01  0.347356D+00 -0.277014D+01 -0.197965D+01
      3  -0.224244D+01  0.347356D+00 -0.219510D+01 -0.976180D+00 -0.889102D+00
                66            67            68            69            70 
      1  -0.976180D+00 -0.429657D+01 -0.240227D+01 -0.657331D+00 -0.148544D+01
      2  -0.889102D+00 -0.240227D+01 -0.118516D+02 -0.231474D+01 -0.695904D+00
      3  -0.564723D+00 -0.657331D+00 -0.231474D+01 -0.278104D+01 -0.110935D+01
                71            72            73            74            75 
      1  -0.695904D+00 -0.110935D+01  0.309032D+00 -0.257189D+00 -0.106249D+01
      2  -0.187246D+01 -0.321491D+01 -0.257189D+00  0.987879D-01  0.509142D-01
      3  -0.321491D+01 -0.256729D+01 -0.106249D+01  0.509142D-01 -0.228410D-01
                76            77            78            79            80 
      1  -0.523850D+00 -0.564815D-01  0.158717D+00 -0.186974D+01 -0.682477D-01
      2  -0.564815D-01  0.146315D+01 -0.123558D+01 -0.682477D-01 -0.168714D+01
      3   0.158717D+00 -0.123558D+01  0.124872D+01 -0.193837D+00  0.178021D+01
                81            82            83            84            85 
      1  -0.193837D+00 -0.973321D+00 -0.405167D+00 -0.108858D+01 -0.920666D+00
      2   0.178021D+01 -0.405167D+00 -0.267757D+00 -0.875473D-01 -0.373711D+00
      3  -0.772919D+01 -0.108858D+01 -0.875473D-01 -0.201342D+00 -0.183076D+00
                86            87            88            89            90 
      1  -0.373711D+00 -0.183076D+00 -0.159602D+01 -0.195544D+00 -0.456246D-01
      2  -0.551504D+01 -0.221822D+01 -0.195544D+00 -0.225967D+01 -0.221970D+01
      3  -0.221822D+01 -0.256825D+01 -0.456246D-01 -0.221970D+01 -0.216852D+01
                91            92            93            94            95 
      1   0.144493D+01  0.197463D+01  0.523081D-01  0.460716D+01  0.441931D+00
      2   0.197463D+01  0.596828D+00  0.218206D+00  0.441931D+00  0.425928D+01
      3   0.523081D-01  0.218206D+00 -0.256935D+00 -0.391170D+00  0.982008D+00
                96            97            98            99           100 
      1  -0.391170D+00  0.691238D+00 -0.578410D-01 -0.705797D+00  0.486899D-01
      2   0.982008D+00 -0.578410D-01  0.895423D+00  0.635481D+00  0.853403D+00
      3   0.109086D+01 -0.705797D+00  0.635481D+00  0.857221D+00  0.816083D+00
               101           102           103           104           105 
      1   0.853403D+00  0.816083D+00  0.912168D+00 -0.165522D+00  0.452583D+00
      2   0.516544D+00  0.605306D+00 -0.165522D+00  0.974988D+00  0.383337D+00
      3   0.605306D+00  0.149827D+01  0.452583D+00  0.383337D+00  0.317710D+00
               106           107           108           109           110 
      1   0.193092D+01  0.216431D+00  0.163509D+01  0.108486D+01  0.158892D+01
      2   0.216431D+00  0.181599D+01  0.933736D+00  0.158892D+01  0.279643D+01
      3   0.163509D+01  0.933736D+00  0.476912D+01 -0.308560D+00 -0.521940D+00
               111           112           113           114           115 
      1  -0.308560D+00  0.226262D+01  0.228564D+01 -0.550767D+00 -0.106139D+01
      2  -0.521940D+00  0.228564D+01  0.591744D+01 -0.121687D+01 -0.906102D+00
      3   0.627190D+00 -0.550767D+00 -0.121687D+01  0.127166D+01  0.685443D+00
               116           117           118           119           120 
      1  -0.906102D+00  0.685443D+00 -0.466906D+01 -0.194860D+01  0.169157D+01
      2  -0.262087D+01  0.141834D+01 -0.194860D+01 -0.173734D+01  0.130876D+01
      3   0.141834D+01 -0.111904D+01  0.169157D+01  0.130876D+01 -0.266383D+01
               121           122           123           124           125 
      1  -0.215364D+01 -0.108384D+01  0.803788D+00  0.126787D+01  0.771881D+00
      2  -0.108384D+01 -0.205494D+01  0.148335D+01  0.771881D+00  0.110516D+01
      3   0.803788D+00  0.148335D+01 -0.118915D+01 -0.142478D+01 -0.732124D+00
               126           127           128           129           130 
      1  -0.142478D+01  0.457379D+01 -0.317474D+01  0.172593D+01 -0.315862D+01
      2  -0.732124D+00 -0.317474D+01  0.315022D+01 -0.111517D+01  0.277515D+01
      3   0.159588D+01  0.172593D+01 -0.111517D+01  0.176946D+01 -0.934937D+00
               131           132           133           134           135 
      1   0.277515D+01 -0.934937D+00  0.774482D+00 -0.503426D+00  0.100500D+01
      2  -0.401147D+01  0.173546D+01 -0.503426D+00  0.945623D+00 -0.697968D+00
      3   0.173546D+01 -0.128122D+01  0.100500D+01 -0.697968D+00  0.692859D+00
               136           137           138           139           140 
      1   0.946919D+00  0.406171D-01  0.123438D+01  0.736868D+00  0.742584D+00
      2   0.406171D-01  0.982087D+00  0.333299D+00  0.742584D+00  0.308008D+01
      3   0.123438D+01  0.333299D+00  0.105134D+01  0.649503D+00  0.196845D+01
               141           142           143           144           145 
      1   0.649503D+00  0.120981D+01  0.199479D+00  0.765031D+00  0.130668D+00
      2   0.196845D+01  0.199479D+00  0.203371D+01  0.179688D+01 -0.100780D+00
      3   0.343515D+01  0.765031D+00  0.179688D+01  0.386207D+01 -0.775142D+00
               146           147           148           149           150 
      1  -0.100780D+00 -0.775142D+00 -0.240863D-01  0.607883D+00 -0.245380D+00
      2   0.100118D+00  0.106969D+00  0.607883D+00  0.102505D+01 -0.114597D+01
      3   0.106969D+00 -0.419756D-01 -0.245380D+00 -0.114597D+01  0.165336D+01
               151           152           153           154           155 
      1  -0.203825D+01 -0.315236D+00  0.166405D+01  0.126659D+01  0.980506D+00
      2  -0.315236D+00 -0.147869D+01  0.191272D+01  0.980506D+00  0.131555D+01
      3   0.166405D+01  0.191272D+01 -0.874644D+01  0.725770D+00  0.410237D+00
               156           157           158           159           160 
      1   0.725770D+00  0.230873D+01  0.197705D+01  0.281954D+00  0.194111D+01
      2   0.410237D+00  0.197705D+01  0.504507D+01  0.141155D+01  0.811194D+00
      3   0.322874D+00  0.281954D+00  0.141155D+01  0.177573D+01  0.550468D+00
               161           162           163           164           165 
      1   0.811194D+00  0.550468D+00  0.754381D+01 -0.285258D+01 -0.304927D-01
      2   0.218301D+01  0.147709D+01 -0.285258D+01  0.220744D+01  0.512399D-01
      3   0.147709D+01  0.104563D+01 -0.304927D-01  0.512399D-01  0.990729D+00
               166           167           168           169           170 
      1  -0.462439D+01  0.257857D+01  0.293442D+00  0.108400D+01 -0.915638D-01
      2   0.257857D+01 -0.232715D+01  0.285177D+00 -0.915638D-01  0.491197D+00
      3   0.293442D+00  0.285177D+00 -0.784552D+00  0.957131D+00 -0.267098D+00
               171 
      1   0.957131D+00
      2  -0.267098D+00
      3  -0.379433D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.280525D+01  0.224014D+01  0.997406D+00  0.273246D+01  0.208324D+01
      2  -0.708448D+01  0.734918D+00  0.105484D+01  0.159853D+01 -0.830856D+01
      3  -0.112384D+02  0.574561D+01  0.279154D+01  0.121460D+02  0.692359D+01
                 6             7             8             9            10 
      1   0.393964D+00  0.181423D+01  0.415404D+01  0.123705D+00  0.320655D+01
      2  -0.815056D+01 -0.613402D+01 -0.894418D+01  0.170191D+02  0.674067D+01
      3   0.528805D+01  0.954884D+00  0.617350D+01  0.780582D+01  0.419778D+01
                11            12            13            14            15 
      1  -0.478202D+00 -0.159877D+00 -0.415451D+00  0.316923D+01 -0.270739D+01
      2  -0.102485D+01  0.382863D+01 -0.186192D+01  0.390403D+01  0.342166D+01
      3  -0.277879D+01 -0.152735D+01  0.396199D+01 -0.561707D+01 -0.483782D+01
                16            17            18            19            20 
      1  -0.846133D-01  0.399286D+01 -0.269811D+01 -0.330196D+01  0.733937D+00
      2  -0.375051D+01  0.392612D+01 -0.328646D+01 -0.140757D+01  0.126495D+01
      3  -0.201381D+01 -0.390907D+01 -0.397057D+01  0.167710D+01 -0.458391D+01
                21            22            23            24            25 
      1  -0.113897D+01  0.567629D+00  0.688054D+00  0.877752D+00 -0.162149D+01
      2   0.138351D+01  0.467434D+01 -0.204050D+01  0.253671D+01 -0.319789D+01
      3   0.576427D+00  0.135772D+01 -0.292717D+01  0.133013D+01 -0.982464D+00
                26            27            28            29            30 
      1   0.524484D+01  0.645462D+00  0.124346D+01  0.990682D+00  0.484598D+00
      2   0.111018D+01 -0.238925D+01 -0.512890D+01  0.580404D+00 -0.490522D+01
      3   0.105041D+01  0.479770D+00 -0.708214D+01  0.252450D-01 -0.131682D+01
                31            32            33            34            35 
      1   0.265142D+01 -0.558849D+01  0.685722D+01  0.135003D+01  0.665924D+01
      2   0.569671D+01 -0.164618D+00 -0.277134D+01 -0.168987D+02 -0.287367D+01
      3   0.624594D+00  0.120858D+02 -0.237494D-01 -0.297967D+01 -0.285226D+00
                36            37            38            39            40 
      1   0.519318D+01 -0.152813D+01 -0.248010D+01  0.220709D+01 -0.181980D+01
      2   0.324036D+01  0.671099D+00  0.239901D+01  0.876374D+01  0.180341D+01
      3   0.106505D+01 -0.395718D+01 -0.145489D+02 -0.128307D+01 -0.112071D+02
                41            42            43            44            45 
      1  -0.165993D+01 -0.371878D+01  0.105523D+00  0.221640D+01 -0.143799D+01
      2   0.188838D+01  0.775786D+00  0.604746D+01  0.258711D+00 -0.521027D+01
      3  -0.107265D+02 -0.114679D+01 -0.384015D+00 -0.592697D-02  0.944631D+00
                46            47            48            49            50 
      1   0.401398D+01 -0.393403D+01 -0.956825D+00 -0.318058D+01 -0.414314D+01
      2  -0.541946D+01 -0.910909D+01  0.900943D+01 -0.752241D+01 -0.151935D+01
      3  -0.718193D+01 -0.460047D+01  0.498793D+01 -0.123582D+01  0.388874D+01
                51            52            53            54            55 
      1  -0.112802D+02 -0.134056D+01 -0.634234D+01 -0.184737D+01  0.343810D+00
      2  -0.243831D+01  0.228831D+01 -0.281911D+01  0.173680D+01  0.646095D+00
      3   0.472099D+01  0.382431D+01  0.451209D+01  0.390431D+01 -0.351118D+01
                56            57            58            59            60 
      1  -0.298546D+01  0.596337D+01 -0.292028D+01 -0.734050D+01 -0.426741D+01
      2   0.191851D+01  0.595640D+01 -0.230642D+00  0.169738D+00 -0.126763D+01
      3  -0.103382D+02 -0.167749D+01  0.151842D+01 -0.274197D+01  0.173163D+01
                61            62            63            64            65 
      1   0.641531D+01  0.429940D+01  0.476978D+01  0.366191D+00  0.116703D+01
      2  -0.190029D+01 -0.105874D+01  0.193285D+01  0.113449D+01  0.227238D+00
      3   0.592781D+00  0.360276D+01 -0.547614D+01 -0.682641D+00 -0.456822D+01
                66            67            68            69            70 
      1  -0.239260D+01  0.122995D+00  0.501494D+01 -0.101707D+02 -0.521675D+00
      2   0.500150D+01 -0.589841D+01  0.172798D+01  0.548140D+01  0.949628D+00
      3  -0.566142D+00  0.906589D+01 -0.198671D+02 -0.233052D+01  0.153779D+01
                71            72            73            74            75 
      1   0.198314D+01 -0.220437D+01  0.679455D+00 -0.384296D+00  0.146867D+00
      2   0.562233D+01  0.308571D+01  0.111506D+01 -0.119645D+00  0.365434D-01
      3  -0.233576D+01 -0.543758D+01  0.509245D+00 -0.379585D+00 -0.524406D+00
                76            77            78            79            80 
      1  -0.277595D+00 -0.164266D+01 -0.594661D+00  0.237802D+00  0.263525D+01
      2  -0.213977D+00  0.414950D+00 -0.320354D+00 -0.368546D+01 -0.266101D-02
      3   0.137507D+01  0.409152D+00 -0.240254D+00 -0.102800D+01 -0.518005D+00
                81            82            83            84            85 
      1   0.203033D+01 -0.928154D+00  0.987873D-01 -0.232893D+00 -0.145310D+00
      2   0.900033D+00 -0.244835D+01 -0.250347D+00 -0.170465D+00 -0.152714D+01
      3   0.758193D-01  0.216900D+01  0.492217D+00  0.120961D+01  0.428361D+01
                86            87            88            89            90 
      1   0.102029D+01 -0.308698D+01  0.198421D-03  0.627962D+00 -0.105884D+01
      2  -0.254940D+01 -0.294917D+01 -0.269217D+01 -0.248608D+01 -0.236069D+01
      3   0.728889D+01  0.323771D+01  0.243502D+01  0.310919D+01  0.300240D+01
                91            92            93            94            95 
      1   0.144701D+01  0.153361D+01  0.126851D+01  0.182991D+01  0.215176D+01
      2  -0.254865D+01 -0.215132D+01 -0.154051D+01 -0.230589D+01 -0.408390D+01
      3   0.691938D+01  0.850486D+01  0.782685D+00  0.119930D+02  0.164140D+02
                96            97            98            99           100 
      1  -0.431131D+00  0.118649D+01  0.158132D+01 -0.244176D+00 -0.150377D+01
      2  -0.347807D+01 -0.205301D+01 -0.227419D+01 -0.120567D+01 -0.105238D+01
      3   0.285190D+01  0.117803D+01  0.225476D+01  0.366110D+00  0.996190D+00
               101           102           103           104           105 
      1  -0.455311D+00 -0.416012D+01 -0.117679D+01 -0.403155D-01 -0.800058D+00
      2  -0.745862D+00 -0.543339D+00 -0.737938D+00  0.174608D+00  0.340878D-01
      3   0.100781D+01  0.200976D+01  0.214036D+01 -0.454293D+00  0.846786D+00
               106           107           108           109           110 
      1  -0.480435D+01  0.665028D+00 -0.107199D+02  0.111944D+01  0.242806D+01
      2  -0.345073D+01  0.117268D+00 -0.188855D+01  0.270109D+00 -0.260087D+00
      3   0.487394D+01 -0.871491D-02  0.446812D+01  0.391998D+01  0.312496D+01
               111           112           113           114           115 
      1  -0.258144D+01  0.270887D+01  0.455941D+01 -0.408040D+01 -0.240572D+01
      2   0.167479D+00 -0.267475D+00 -0.338753D+00  0.522643D+00 -0.953896D+00
      3  -0.967588D+00  0.738266D+01  0.565082D+01 -0.188621D+01 -0.363736D+01
               116           117           118           119           120 
      1  -0.305783D+01  0.289724D+01 -0.164797D+01 -0.229601D+01 -0.178261D+01
      2   0.194310D+00 -0.231465D+00  0.116007D+02  0.449278D+01 -0.347908D+01
      3  -0.271508D+01  0.201548D+01  0.948103D+01  0.280925D+01 -0.293968D+01
               121           122           123           124           125 
      1  -0.123650D+01 -0.151176D+01 -0.110303D+00 -0.530640D+00  0.214202D+01
      2   0.496858D+01  0.329115D+01 -0.194001D+01 -0.504209D+01 -0.207181D+01
      3   0.546494D+01  0.297828D+01 -0.251664D+01 -0.238953D+01 -0.154935D+01
               126           127           128           129           130 
      1   0.592929D+00 -0.291048D+01  0.423661D+01  0.161933D+01  0.320415D+01
      2   0.343757D+01 -0.472858D+01  0.298006D+01  0.231314D+01  0.420675D+01
      3   0.261082D+01 -0.136226D+01 -0.284373D+01  0.106728D-01  0.149274D+01
               131           132           133           134           135 
      1  -0.402162D+01 -0.619183D+00  0.178024D+00  0.177456D+01 -0.199876D+00
      2  -0.164447D+01 -0.131516D+01 -0.124932D+01  0.158873D+00 -0.267509D+00
      3   0.339879D+01 -0.153772D+01 -0.601504D+00 -0.103348D+01 -0.241764D+00
               136           137           138           139           140 
      1   0.100104D+01  0.245582D+01  0.104736D+01  0.166461D+01  0.992630D+01
      2   0.917631D-01  0.454986D+00  0.452453D+00 -0.144313D+01  0.197695D+01
      3  -0.424049D-01 -0.245128D+01 -0.128185D+01  0.754375D-01 -0.615912D+01
               141           142           143           144           145 
      1   0.511687D+01  0.918450D+00  0.798309D+01  0.608997D+01  0.173069D+00
      2   0.431826D+01 -0.250292D+01  0.215741D+01  0.403881D+01 -0.241866D+01
      3  -0.334165D+01 -0.498335D+00 -0.354686D+01 -0.312502D+01  0.275930D+00
               146           147           148           149           150 
      1   0.633254D-01 -0.117415D+00 -0.313526D+00 -0.129139D+01 -0.440432D+00
      2  -0.818817D-01  0.299722D+00  0.504204D-02 -0.208438D+01  0.447519D+01
      3  -0.928235D+00 -0.240174D+00 -0.342819D+00 -0.278619D+01  0.267215D+01
               151           152           153           154           155 
      1  -0.673061D-01  0.358184D+01  0.803907D+00 -0.105028D+01 -0.123948D+01
      2  -0.103402D+01  0.478870D+01 -0.215794D+02  0.313336D+01  0.180018D+01
      3  -0.287666D+00  0.416299D+01 -0.495766D+01 -0.302743D+01 -0.401133D+01
               156           157           158           159           160 
      1  -0.917706D+00 -0.135592D+01 -0.389157D+01 -0.397558D+01 -0.789444D+00
      2   0.214202D+01  0.167800D+01  0.620111D+01  0.623051D+01  0.862223D+00
      3  -0.775912D+00 -0.197417D+01 -0.154281D+02 -0.465866D+01 -0.593819D+00
               161           162           163           164           165 
      1  -0.890775D+00 -0.224129D+01  0.208201D+01 -0.169512D+01  0.705910D+00
      2   0.482819D+01  0.395367D+01  0.588727D+01 -0.239303D+01  0.493992D+01
      3  -0.708357D+01 -0.422085D+01  0.790536D+01 -0.915609D+01  0.148504D-01
               166           167           168           169           170 
      1  -0.169391D+01  0.180120D+01 -0.167328D+01 -0.573516D-02  0.228663D+00
      2  -0.262244D+01  0.298501D+01 -0.316563D+01  0.223489D+01 -0.664318D+00
      3  -0.596003D+01  0.770203D+01 -0.110687D+01 -0.592737D-03 -0.187465D+01
               171 
      1   0.222440D+00
      2   0.218789D-01
      3   0.691273D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.942606D+01  0.229835D+02 -0.111291D+02  0.275844D+02 -0.150668D+02
      2   0.188468D+01 -0.127694D+02  0.521447D+01 -0.151705D+02  0.216615D+01
      3   0.754138D+01 -0.102141D+02  0.591465D+01 -0.124139D+02  0.129007D+02
      4   0.249492D+02 -0.134419D+02 -0.487162D+01 -0.189780D+02 -0.105489D+02
      5  -0.101708D+02 -0.779876D+01  0.422163D+01 -0.926185D+01 -0.954156D+01
      6  -0.456275D+01  0.181119D+01  0.212770D+00  0.147265D+01 -0.936995D+00
                 6             7             8             9            10 
      1  -0.786313D+01 -0.133717D+02 -0.567001D+01  0.112719D+02 -0.577730D+01
      2  -0.260968D+01  0.355578D+01 -0.449919D+01  0.680869D+01  0.142088D+01
      3   0.104728D+02  0.981590D+01  0.101692D+02 -0.180806D+02  0.435642D+01
      4  -0.110057D+02 -0.401593D+01 -0.124018D+02 -0.120789D+02 -0.106483D+02
      5  -0.120725D+02  0.593213D+00 -0.128660D+02  0.255326D+02  0.100890D+02
      6  -0.354082D+00 -0.110154D+01 -0.448361D+00  0.562987D+01 -0.423438D+01
                11            12            13            14            15 
      1  -0.934271D+01  0.926950D+01 -0.132176D+02  0.947365D+01  0.660985D+01
      2   0.427237D+01 -0.629416D+01  0.731396D+01 -0.796759D+01 -0.927839D+01
      3   0.507034D+01 -0.297535D+01  0.590360D+01 -0.150606D+01  0.266855D+01
      4   0.417195D+01  0.184501D+01  0.892551D+01  0.528261D+01  0.512293D+01
      5   0.356320D+01 -0.108654D+01  0.627534D+01  0.564413D+01  0.655728D+01
      6   0.906877D+00 -0.810212D+00  0.684068D+00 -0.966065D+01 -0.357211D+01
                16            17            18            19            20 
      1   0.119866D+02  0.500317D+01  0.466824D+01 -0.712331D+01 -0.794341D+00
      2  -0.587746D+01 -0.395549D+01 -0.477184D+01  0.881911D+01  0.767914D+00
      3  -0.610916D+01 -0.104768D+01  0.103597D+00 -0.169580D+01  0.264269D-01
      4   0.383263D+01  0.507544D+01  0.785133D+01 -0.477881D+00  0.327608D+01
      5  -0.324511D+00  0.781337D+01 -0.897830D+01 -0.198177D+01 -0.369522D+00
      6   0.463840D+00 -0.548229D+01  0.897642D+00  0.300108D+01 -0.214317D+01
                21            22            23            24            25 
      1  -0.198774D+00  0.596884D+01  0.321762D+01 -0.160407D+01 -0.412138D+01
      2   0.197096D+01 -0.230145D+01 -0.549744D+01 -0.271925D+01  0.273005D+01
      3  -0.177218D+01 -0.366739D+01  0.227982D+01  0.432332D+01  0.139133D+01
      4   0.824215D+00 -0.650749D+01  0.504867D+01  0.635705D+00 -0.398782D+01
      5   0.659389D+00 -0.270244D+01  0.481746D+00  0.277297D+01 -0.968295D+00
      6   0.941197D+00 -0.784567D+00  0.899284D+00 -0.486977D+01 -0.561182D+00
                26            27            28            29            30 
      1  -0.145828D+01  0.950730D+01 -0.718248D+01  0.106502D+02  0.216570D+01
      2  -0.803692D+01  0.771486D+01  0.921030D+00 -0.814688D+01 -0.605461D+01
      3   0.949520D+01 -0.172222D+02  0.626145D+01 -0.250331D+01  0.388891D+01
      4   0.324532D+00  0.349192D+00  0.587282D+01 -0.853342D+01 -0.308998D+01
      5  -0.110793D+01  0.676782D+00  0.366697D+01 -0.336779D+01 -0.753082D+01
      6  -0.308812D+01  0.892887D+01 -0.167480D+01 -0.210699D+01 -0.107870D+01
                31            32            33            34            35 
      1   0.132885D+01  0.821503D+01  0.339448D+01  0.367511D+01 -0.809772D+00
      2  -0.387382D+01 -0.179450D+02  0.440031D+01 -0.457075D+01 -0.293818D+01
      3   0.254496D+01  0.972998D+01 -0.779479D+01  0.895634D+00  0.374795D+01
      4  -0.186280D+02 -0.235466D+02 -0.567547D+01 -0.968082D+01 -0.274229D+01
      5  -0.931685D+01 -0.752737D+01 -0.533877D+01 -0.487392D+00 -0.395097D+01
      6  -0.330587D+01 -0.891612D+01 -0.110718D+02 -0.302647D+01  0.132258D+01
                36            37            38            39            40 
      1  -0.375996D+01  0.492007D+02 -0.673318D+01 -0.511942D+01  0.650161D+01
      2  -0.306116D+01 -0.291181D+02  0.804151D+00  0.627989D+01 -0.740612D+01
      3   0.682112D+01 -0.200827D+02  0.592902D+01 -0.116047D+01  0.904510D+00
      4  -0.487042D+01 -0.166188D+02  0.164060D+02  0.245803D+01  0.164358D+02
      5   0.379304D+01 -0.923317D+01  0.171247D+01  0.161475D+02  0.272678D+00
      6  -0.731063D+01 -0.645330D+00 -0.504485D+00 -0.297504D+01 -0.166325D+01
                41            42            43            44            45 
      1   0.112582D+02 -0.392744D+00 -0.350459D+01  0.250181D+01  0.587048D+01
      2  -0.435435D+01 -0.150235D+01  0.318866D+01 -0.156214D+01 -0.982724D+01
      3  -0.690387D+01  0.189510D+01  0.315928D+00 -0.939668D+00  0.395675D+01
      4  -0.518996D+00 -0.529802D+00  0.415654D+01 -0.824090D+00 -0.334534D+01
      5  -0.439967D+00 -0.862140D+00  0.151031D+02 -0.373274D+01 -0.115910D+02
      6  -0.102760D+01  0.634926D+01 -0.116313D+01  0.468802D+01  0.174106D+01
                46            47            48            49            50 
      1   0.806094D+01  0.134835D+02 -0.879318D+01  0.128651D+02 -0.256044D+01
      2  -0.931949D+01 -0.302435D-01  0.486322D+01  0.618604D+00  0.533286D+01
      3   0.125855D+01 -0.134532D+02  0.392996D+01 -0.134837D+02 -0.277242D+01
      4   0.114676D+02 -0.167527D+02  0.565409D+01 -0.172592D+02  0.347208D+01
      5  -0.550009D+01  0.919483D+01 -0.565825D+01  0.783561D+01 -0.120091D+02
      6   0.158686D+02 -0.488116D+01 -0.340818D+01 -0.536796D+01  0.153460D+01
                51            52            53            54            55 
      1   0.292563D+01 -0.770510D+01  0.205319D+01 -0.621883D+01  0.155045D+02
      2   0.121556D+02  0.398885D+01  0.936179D+01  0.155415D+01 -0.116125D+02
      3  -0.150812D+02  0.371625D+01 -0.114150D+02  0.466468D+01 -0.389196D+01
      4  -0.804545D+01  0.303133D+01 -0.546905D+01 -0.901529D+01 -0.259898D+01
      5  -0.100945D+02 -0.607003D+01 -0.105693D+02  0.593736D+01 -0.111766D+01
      6  -0.747193D+01 -0.352638D+01 -0.477061D+01 -0.110703D+02 -0.617170D+00
                56            57            58            59            60 
      1   0.784353D+01  0.221339D+00  0.468848D+01 -0.898377D+01 -0.620024D+01
      2  -0.141873D+02  0.343225D+01 -0.111288D+02  0.114625D+02  0.962324D+01
      3   0.634381D+01 -0.365359D+01  0.644030D+01 -0.247874D+01 -0.342299D+01
      4  -0.196489D+01 -0.117722D+01  0.319495D+01 -0.124998D+02  0.472661D+00
      5   0.848071D-01  0.273656D+01  0.547842D+00 -0.280663D+00 -0.240430D+01
      6   0.169740D+01 -0.837211D+01  0.181924D+01  0.117473D+02  0.573535D+01
                61            62            63            64            65 
      1  -0.221849D+01 -0.677948D+01  0.911732D+00  0.108402D+02  0.541598D+01
      2   0.634307D+01  0.131914D+02  0.552770D+00 -0.247440D+01  0.138719D+01
      3  -0.412459D+01 -0.641189D+01 -0.146450D+01 -0.836577D+01 -0.680317D+01
      4   0.449453D+00  0.138650D+01 -0.788902D+01  0.159217D+02  0.189093D+02
      5   0.316061D+01 -0.178642D+01 -0.371445D+01  0.673547D+01  0.565355D+01
      6  -0.846760D+01  0.176699D+01 -0.468129D+01  0.344122D+01  0.313713D+01
                66            67            68            69            70 
      1   0.113402D+01  0.925106D+01 -0.214621D+02 -0.629621D+01  0.303516D+01
      2  -0.973394D+00  0.902871D+00  0.397153D+02  0.176900D+01 -0.100033D+01
      3  -0.160628D+00 -0.101539D+02 -0.182532D+02  0.452721D+01 -0.203483D+01
      4   0.478963D+01  0.239622D+02  0.448344D+02  0.944074D+01  0.547936D+01
      5   0.948706D+01  0.662515D+01  0.112855D+02  0.115751D+02  0.101796D+02
      6   0.431102D+01  0.533339D+01  0.134168D+02  0.172357D+02  0.506486D+01
                71            72            73            74            75 
      1  -0.477219D+01 -0.610904D+01  0.867025D+00  0.620568D+00 -0.246783D+00
      2   0.271661D+01  0.357448D+00 -0.361269D+01 -0.524675D+00 -0.349891D+00
      3   0.205559D+01  0.575159D+01  0.274567D+01 -0.958925D-01  0.596674D+00
      4   0.684418D+01  0.123903D+02 -0.221436D+00  0.157753D+01 -0.179412D+01
      5   0.126185D+02  0.103279D+02  0.188478D+00 -0.122442D+01  0.510253D+01
      6   0.142347D+02  0.968438D+01 -0.203015D+01  0.760981D+00 -0.349082D-01
                76            77            78            79            80 
      1   0.153575D+00 -0.517021D+01  0.342669D+01  0.630659D+00  0.536224D+01
      2   0.294781D+00  0.177878D+01 -0.645964D+00  0.340510D+00  0.366273D+00
      3  -0.448356D+00  0.339143D+01 -0.278073D+01 -0.971169D+00 -0.572851D+01
      4   0.252011D+01 -0.966812D+00  0.396980D+00 -0.515044D+00  0.885981D+00
      5  -0.483043D+00 -0.523988D-01 -0.435659D+00  0.533494D+01  0.185201D+00
      6   0.815974D+00 -0.412502D+01  0.812406D+01  0.347675D+00  0.768842D+01
                81            82            83            84            85 
      1  -0.181201D+02 -0.783697D+00 -0.125877D+01 -0.282425D+01 -0.298755D+01
      2  -0.126893D+02  0.230658D+01  0.104306D+01  0.196612D+01  0.222854D+01
      3   0.308094D+02 -0.152288D+01  0.215703D+00  0.858134D+00  0.759010D+00
      4  -0.488135D+00 -0.477315D+00  0.276187D+01  0.130436D+01  0.245552D+01
      5   0.100109D+01 -0.206661D+01  0.117036D+01  0.180125D+01  0.111575D+01
      6  -0.131967D+02  0.292546D+01  0.619714D+00  0.764469D+00  0.617039D+00
                86            87            88            89            90 
      1  -0.132174D+02 -0.510433D+01 -0.416317D+01 -0.601712D+01 -0.710081D+01
      2   0.175800D+02  0.643597D+01  0.226252D+01  0.443996D+01  0.229488D+01
      3  -0.436258D+01 -0.133164D+01  0.190065D+01  0.157716D+01  0.480594D+01
      4  -0.110567D+02 -0.439186D+01  0.262462D+00 -0.471183D+01 -0.418463D+01
      5  -0.434974D+01 -0.597214D+01  0.257201D+01 -0.448094D+01 -0.393961D+01
      6   0.119194D+02  0.977197D+01  0.903775D+00  0.100267D+02  0.904725D+01
                91            92            93            94            95 
      1  -0.113123D+02 -0.440567D+01 -0.397899D-02 -0.168632D+02 -0.597686D+01
      2   0.101478D+02  0.146019D+01  0.996090D-01  0.988203D+01  0.852926D+01
      3   0.116444D+01  0.294548D+01 -0.956300D-01  0.698120D+01 -0.255240D+01
      4  -0.400845D+01  0.479988D+00  0.268595D-01  0.641658D+01 -0.158906D+02
      5   0.711990D+00  0.523472D+00 -0.133811D+01  0.281879D+01 -0.303170D+01
      6   0.942833D+00 -0.371904D+00 -0.185553D+01 -0.656117D+00  0.290251D+01
                96            97            98            99           100 
      1  -0.945433D-01 -0.171240D+01 -0.135914D+01 -0.710101D+00 -0.157410D+01
      2   0.637944D+00  0.136270D+01  0.120179D+01 -0.383438D+00  0.113246D+01
      3  -0.543400D+00  0.349703D+00  0.157353D+00  0.109354D+01  0.441643D+00
      4  -0.403036D+01  0.969495D+00 -0.322536D+01 -0.326212D+01  0.221009D+01
      5  -0.532668D+01  0.340460D+01 -0.278707D+01 -0.279724D+01  0.129033D+01
      6   0.192415D+01 -0.173038D+01  0.277224D+01  0.174610D+01  0.388695D+01
               101           102           103           104           105 
      1  -0.172422D+01 -0.196266D+01  0.847739D+00 -0.290689D+01 -0.763165D+00
      2   0.241725D+01  0.978784D-01 -0.746647D+00  0.338920D+01  0.925820D+00
      3  -0.693032D+00  0.186478D+01 -0.101092D+00 -0.482310D+00 -0.162654D+00
      4   0.290349D+01  0.323033D+01  0.219974D+01  0.199451D+01  0.144278D+01
      5   0.184298D+01  0.286055D+01  0.184990D+01  0.268720D+00  0.162335D+01
      6   0.214735D+01  0.650281D+01  0.111563D+01  0.237923D+01  0.288490D+01
               106           107           108           109           110 
      1  -0.168725D+01 -0.414595D+01 -0.783045D+01 -0.184577D+01 -0.671661D+01
      2  -0.164184D+01  0.458509D+01 -0.389851D+01  0.598846D+01  0.138594D+02
      3   0.332908D+01 -0.439137D+00  0.117290D+02 -0.414269D+01 -0.714275D+01
      4   0.582542D+01  0.221160D+01  0.505389D+01  0.491439D+01  0.907410D+01
      5   0.327453D+01  0.126970D+01  0.459244D+01 -0.127461D+01 -0.109853D+01
      6   0.584693D+01  0.554092D+01  0.159229D+02 -0.248812D+01 -0.341395D+01
               111           112           113           114           115 
      1   0.546002D+00 -0.523194D+01 -0.162770D+02  0.347319D+01  0.230660D+01
      2  -0.254493D+01  0.107306D+02  0.307842D+02 -0.684889D+01 -0.412343D+01
      3   0.199892D+01 -0.549862D+01 -0.145072D+02  0.337570D+01  0.181684D+01
      4  -0.184397D+01  0.896506D+01  0.105726D+02 -0.297395D+01 -0.316313D+01
      5   0.190123D+01  0.280805D-01 -0.127029D+01  0.809199D+00  0.177790D+01
      6   0.316164D+01 -0.342599D+01 -0.841585D+01  0.629496D+01  0.378581D+01
               116           117           118           119           120 
      1   0.733074D+01 -0.467400D+01 -0.940720D+01 -0.919748D+01  0.107041D+02
      2  -0.120434D+02  0.564948D+01  0.525973D+01  0.626133D+01 -0.881753D+00
      3   0.471264D+01 -0.975479D+00  0.414747D+01  0.293615D+01 -0.982238D+01
      4  -0.421306D+01  0.323651D+01  0.721611D+01  0.405975D+01 -0.229492D+01
      5   0.143120D+01 -0.955748D+00 -0.954102D+01 -0.389826D+01  0.302092D+01
      6   0.937565D+01 -0.611523D+01 -0.777599D+01 -0.799684D+01  0.865470D+01
               121           122           123           124           125 
      1  -0.788143D+01 -0.853156D+01  0.636804D+01  0.684825D+01  0.509931D+01
      2   0.523536D+01  0.764825D+01 -0.343127D+01 -0.576237D+00 -0.251449D+01
      3   0.264608D+01  0.883301D+00 -0.293677D+01 -0.627201D+01 -0.258482D+01
      4   0.569209D+01  0.822484D+00  0.167523D+00 -0.202634D+01 -0.482340D+00
      5  -0.472715D+01 -0.459684D+00  0.143333D+01  0.503359D+01  0.221419D+01
      6  -0.494635D+01 -0.849534D+01  0.805619D+01  0.573061D+01  0.677076D+01
               126           127           128           129           130 
      1  -0.798015D+01  0.163521D+02 -0.667488D+01  0.176290D+01 -0.718548D+01
      2  -0.538203D+00 -0.403458D+01 -0.320160D+01 -0.303395D+01 -0.254566D+01
      3   0.851835D+01 -0.123175D+02  0.987648D+01  0.127105D+01  0.973114D+01
      4   0.277085D+01 -0.222402D+02  0.199554D+02 -0.766473D+01  0.189465D+02
      5  -0.286960D+01  0.165639D+02 -0.113938D+02  0.118571D+02 -0.108767D+02
      6  -0.593301D+01 -0.105027D+02  0.106165D+02 -0.704228D+01  0.871236D+01
               131           132           133           134           135 
      1  -0.615353D+00  0.143107D+01  0.403047D+00  0.886104D+00  0.459369D+00
      2   0.102308D+02 -0.142783D+01 -0.197748D+01 -0.134039D+00 -0.152427D+01
      3  -0.961541D+01 -0.323776D-02  0.157443D+01 -0.752064D+00  0.106491D+01
      4  -0.210546D+02  0.757182D+01 -0.354071D+01  0.403779D+01 -0.505178D+01
      5   0.110368D+02 -0.694058D+01  0.811386D+01 -0.481101D+01  0.522159D+01
      6  -0.130935D+02  0.958379D+01 -0.482868D+01  0.710614D+01 -0.402826D+01
               136           137           138           139           140 
      1   0.173608D+01  0.544923D+00  0.229675D+01  0.225307D+01 -0.175824D+01
      2  -0.344551D+01 -0.221346D+01 -0.470976D+01 -0.386424D+01 -0.418909D+01
      3   0.170943D+01  0.166854D+01  0.241301D+01  0.161117D+01  0.594733D+01
      4   0.101149D+01  0.519820D+01  0.714407D+00  0.446335D+01  0.788176D+01
      5   0.611973D+01  0.213771D+01  0.818191D+01  0.537808D+01  0.801337D+01
      6   0.198440D+00  0.317817D+01  0.132180D+01  0.252938D+01  0.109916D+02
               141           142           143           144           145 
      1  -0.543802D+01  0.214084D+01 -0.309423D+01 -0.724413D+01  0.118486D+01
      2  -0.956334D+01 -0.441741D+01 -0.626563D+01 -0.126785D+02 -0.291971D+01
      3   0.150014D+02  0.227657D+01  0.935986D+01  0.199226D+02  0.173485D+01
      4   0.558081D+01  0.304591D+00  0.502545D+01  0.501616D+01 -0.783723D+00
      5   0.118094D+02  0.752633D+01  0.609677D+01  0.128354D+02 -0.357358D+01
      6   0.740141D+01  0.120303D+01  0.867335D+01  0.636899D+01 -0.674152D+00
               146           147           148           149           150 
      1  -0.640998D+00 -0.516756D+01 -0.646449D+00 -0.756093D+00  0.273637D+01
      2   0.363407D+00  0.244073D+01 -0.107169D+00 -0.624260D+00  0.167871D+01
      3   0.277591D+00  0.272683D+01  0.753618D+00  0.138035D+01 -0.441508D+01
      4   0.223723D+01 -0.935789D+00  0.484772D+01  0.497181D+01 -0.521927D+01
      5  -0.684796D+00  0.576598D+01 -0.199994D+01 -0.499855D+01  0.851747D+01
      6   0.395643D-02  0.257537D+00 -0.128526D+01 -0.333701D+01  0.751061D+01
               151           152           153           154           155 
      1  -0.860146D+01  0.289785D+01 -0.127042D+02  0.922360D+01  0.485759D+01
      2   0.830171D+01  0.160187D+01 -0.183929D+02 -0.169223D+01 -0.520128D-02
      3   0.299748D+00 -0.449971D+01  0.310970D+02 -0.753136D+01 -0.485238D+01
      4  -0.286101D+01 -0.704782D+01  0.815227D+01  0.628192D+01  0.115418D+02
      5   0.144648D+02  0.887251D+01 -0.417647D+02  0.329856D+01  0.287610D+01
      6   0.106392D+01  0.761185D+01 -0.799647D+01  0.115698D+01 -0.469327D+00
               156           157           158           159           160 
      1   0.399023D+01  0.108667D+02  0.519049D+01  0.155952D+01  0.103365D+02
      2  -0.109420D+01 -0.238754D+01  0.935499D+01  0.330434D+01 -0.420826D+01
      3  -0.289603D+01 -0.847920D+01 -0.145455D+02 -0.486386D+01 -0.612819D+01
      4   0.381176D+01  0.162572D+02  0.285739D+02  0.783597D+01  0.678652D+01
      5   0.295569D+01  0.188776D+01  0.756658D+01  0.102135D+02  0.408843D+01
      6   0.479732D+00 -0.279968D+00  0.506455D+00  0.357238D+01  0.134603D+01
               161           162           163           164           165 
      1   0.282272D+01 -0.122029D+00  0.538825D+02 -0.188223D+02  0.833614D+00
      2   0.286852D+01 -0.110625D+00 -0.258617D+02  0.839829D+01  0.832283D+00
      3  -0.569124D+01  0.232654D+00 -0.280208D+02  0.104240D+02 -0.166590D+01
      4   0.121297D+02  0.787012D+01 -0.217038D+02  0.170937D+02  0.449304D+00
      5   0.823540D+01  0.641666D+01 -0.609630D+01  0.251200D+01  0.832931D+01
      6   0.317723D+01  0.238005D+01  0.378398D+01 -0.299143D+01 -0.103070D+01
               166           167           168           169           170 
      1  -0.283402D+02  0.132921D+02  0.874527D+00  0.698354D+01 -0.808031D+00
      2   0.124138D+02 -0.212326D+01 -0.989736D+00 -0.241991D+01  0.659117D+00
      3   0.159264D+02 -0.111689D+02  0.115209D+00 -0.456364D+01  0.148914D+00
      4   0.204055D+02 -0.173055D+02  0.131276D+01 -0.130701D+01  0.319649D+01
      5   0.473299D+01 -0.335812D+00 -0.586426D+01  0.753799D+01 -0.257802D+01
      6  -0.327553D+01  0.314652D+01  0.230985D+01 -0.128470D+01  0.198732D+01
               171 
      1   0.360813D+01
      2  -0.333298D+01
      3  -0.275159D+00
      4  -0.250492D+01
      5  -0.161534D+01
      6  -0.579573D+00
 Leave Link  716 at Fri Aug 13 11:06:11 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.843152D+02  0.664055D-01 -0.189115D+01
      2   0.664055D-01  0.789535D+02  0.143563D+01
      3  -0.189115D+01  0.143563D+01  0.694149D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.585712D+00 -0.363495D+00  0.127229D+01
      2   0.252942D+01 -0.791850D+01  0.327267D+02
      3   0.570618D+01 -0.161882D+02  0.837230D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.706444D+02 -0.710149D+01 -0.233886D+01
      2  -0.399407D+02  0.722474D+01 -0.693178D+00
      3  -0.307036D+02 -0.123257D+00  0.303204D+01
      4  -0.492408D+01  0.362804D+02 -0.205831D+02
      5   0.503319D+01 -0.225310D+02  0.715618D+02
      6  -0.881206D+01  0.668039D+01 -0.396431D+00
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.951429D+00  0.382495D+01 -0.221522D+01  0.438598D+01 -0.280547D+01
      2   0.382495D+01 -0.238782D+01 -0.968543D+00 -0.280547D+01 -0.208004D+01
      3  -0.221522D+01 -0.968543D+00  0.594884D+00 -0.865179D+00 -0.207247D+01
                 6             7             8             9            10 
      1  -0.865179D+00 -0.235695D+01 -0.555656D+00 -0.261918D+00  0.193219D+01
      2  -0.207247D+01 -0.555656D+00 -0.204897D+01 -0.287992D+01 -0.339969D+01
      3  -0.256373D+01 -0.261918D+00 -0.287992D+01  0.598275D+01  0.250773D+01
                11            12            13            14            15 
      1  -0.339969D+01  0.250773D+01 -0.455327D+01  0.163669D+01  0.944272D+00
      2   0.171348D+01  0.110797D+01  0.163669D+01  0.240687D+01  0.230517D+01
      3   0.110797D+01 -0.258832D+00  0.944272D+00  0.230517D+01  0.300788D+01
                16            17            18            19            20 
      1   0.282274D+01  0.717845D+00 -0.501069D-01 -0.908577D+00  0.318467D+01
      2   0.717845D+00  0.203502D+01  0.340622D+01  0.318467D+01 -0.685108D+00
      3  -0.501069D-01  0.340622D+01 -0.361148D+01 -0.572149D+00 -0.175308D+00
                21            22            23            24            25 
      1  -0.572149D+00  0.378780D+01  0.624086D-01  0.241273D+00 -0.657865D+00
      2  -0.175308D+00  0.624086D-01 -0.192425D+01 -0.986173D+00  0.729512D+00
      3   0.306464D-01  0.241273D+00 -0.986173D+00 -0.117988D+01  0.594482D-01
                26            27            28            29            30 
      1   0.729512D+00  0.594482D-01 -0.150277D+01 -0.213526D+01 -0.296376D+00
      2  -0.918893D+00 -0.210347D+01 -0.213526D+01  0.494631D+00  0.713740D+00
      3  -0.210347D+01  0.538850D+01 -0.296376D+00  0.713740D+00 -0.783344D-01
                31            32            33            34            35 
      1  -0.887787D-01  0.167432D+01  0.876055D+00  0.348729D-02  0.111733D+01
      2   0.167432D+01  0.548779D+01  0.163106D+01  0.111733D+01  0.197906D+01
      3   0.876055D+00  0.163106D+01  0.899656D+00  0.320988D+00  0.856864D+00
                36            37            38            39            40 
      1   0.320988D+00 -0.798773D+01  0.129255D+01  0.146855D+01 -0.206175D+01
      2   0.856864D+00  0.129255D+01 -0.212843D+01 -0.568244D+00 -0.352954D+01
      3   0.408383D-01  0.146855D+01 -0.568244D+00 -0.118706D+01 -0.154630D+00
                41            42            43            44            45 
      1  -0.352954D+01 -0.154630D+00  0.135757D+01 -0.745862D+00 -0.192767D+01
      2  -0.144411D+01 -0.251866D+00 -0.745862D+00 -0.604880D+00  0.635890D+00
      3  -0.251866D+00 -0.826389D-02 -0.192767D+01  0.635890D+00  0.190076D+01
                46            47            48            49            50 
      1   0.469700D+00  0.449405D+01 -0.280690D+01  0.446723D+01 -0.179520D+01
      2   0.449405D+01 -0.200277D+01 -0.811990D+00 -0.179520D+01 -0.528760D+00
      3  -0.280690D+01 -0.811990D+00  0.393277D+00 -0.899001D+00 -0.278134D+01
                51            52            53            54            55 
      1  -0.899001D+00 -0.211151D+01 -0.866292D+00  0.318868D+00 -0.980253D+00
      2  -0.278134D+01 -0.866292D+00 -0.224380D+01 -0.308559D+01 -0.119014D+01
      3  -0.242578D+01  0.318868D+00 -0.308559D+01  0.238085D+01 -0.902299D-01
                56            57            58            59            60 
      1  -0.119014D+01 -0.902299D-01 -0.106294D+01 -0.257021D+01  0.179886D+00
      2  -0.278323D+01  0.231211D+00 -0.257021D+01  0.207768D+01  0.203767D+01
      3   0.231211D+00 -0.200279D+01  0.179886D+00  0.203767D+01  0.811415D-01
                61            62            63            64            65 
      1   0.939372D-01  0.438002D+00 -0.224244D+01 -0.177803D+01 -0.277014D+01
      2   0.438002D+00  0.225118D+01  0.347356D+00 -0.277014D+01 -0.197965D+01
      3  -0.224244D+01  0.347356D+00 -0.219510D+01 -0.976180D+00 -0.889102D+00
                66            67            68            69            70 
      1  -0.976180D+00 -0.429657D+01 -0.240227D+01 -0.657331D+00 -0.148544D+01
      2  -0.889102D+00 -0.240227D+01 -0.118516D+02 -0.231474D+01 -0.695904D+00
      3  -0.564723D+00 -0.657331D+00 -0.231474D+01 -0.278104D+01 -0.110935D+01
                71            72            73            74            75 
      1  -0.695904D+00 -0.110935D+01  0.309032D+00 -0.257189D+00 -0.106249D+01
      2  -0.187246D+01 -0.321491D+01 -0.257189D+00  0.987879D-01  0.509142D-01
      3  -0.321491D+01 -0.256729D+01 -0.106249D+01  0.509142D-01 -0.228410D-01
                76            77            78            79            80 
      1  -0.523850D+00 -0.564815D-01  0.158717D+00 -0.186974D+01 -0.682477D-01
      2  -0.564815D-01  0.146315D+01 -0.123558D+01 -0.682477D-01 -0.168714D+01
      3   0.158717D+00 -0.123558D+01  0.124872D+01 -0.193837D+00  0.178021D+01
                81            82            83            84            85 
      1  -0.193837D+00 -0.973321D+00 -0.405167D+00 -0.108858D+01 -0.920666D+00
      2   0.178021D+01 -0.405167D+00 -0.267757D+00 -0.875473D-01 -0.373711D+00
      3  -0.772919D+01 -0.108858D+01 -0.875473D-01 -0.201342D+00 -0.183076D+00
                86            87            88            89            90 
      1  -0.373711D+00 -0.183076D+00 -0.159602D+01 -0.195544D+00 -0.456246D-01
      2  -0.551504D+01 -0.221822D+01 -0.195544D+00 -0.225967D+01 -0.221970D+01
      3  -0.221822D+01 -0.256825D+01 -0.456246D-01 -0.221970D+01 -0.216852D+01
                91            92            93            94            95 
      1   0.144493D+01  0.197463D+01  0.523081D-01  0.460716D+01  0.441931D+00
      2   0.197463D+01  0.596828D+00  0.218206D+00  0.441931D+00  0.425928D+01
      3   0.523081D-01  0.218206D+00 -0.256935D+00 -0.391170D+00  0.982008D+00
                96            97            98            99           100 
      1  -0.391170D+00  0.691238D+00 -0.578410D-01 -0.705797D+00  0.486899D-01
      2   0.982008D+00 -0.578410D-01  0.895423D+00  0.635481D+00  0.853403D+00
      3   0.109086D+01 -0.705797D+00  0.635481D+00  0.857221D+00  0.816083D+00
               101           102           103           104           105 
      1   0.853403D+00  0.816083D+00  0.912168D+00 -0.165522D+00  0.452583D+00
      2   0.516544D+00  0.605306D+00 -0.165522D+00  0.974988D+00  0.383337D+00
      3   0.605306D+00  0.149827D+01  0.452583D+00  0.383337D+00  0.317710D+00
               106           107           108           109           110 
      1   0.193092D+01  0.216431D+00  0.163509D+01  0.108486D+01  0.158892D+01
      2   0.216431D+00  0.181599D+01  0.933736D+00  0.158892D+01  0.279643D+01
      3   0.163509D+01  0.933736D+00  0.476912D+01 -0.308560D+00 -0.521940D+00
               111           112           113           114           115 
      1  -0.308560D+00  0.226262D+01  0.228564D+01 -0.550767D+00 -0.106139D+01
      2  -0.521940D+00  0.228564D+01  0.591744D+01 -0.121687D+01 -0.906102D+00
      3   0.627190D+00 -0.550767D+00 -0.121687D+01  0.127166D+01  0.685443D+00
               116           117           118           119           120 
      1  -0.906102D+00  0.685443D+00 -0.466906D+01 -0.194860D+01  0.169157D+01
      2  -0.262087D+01  0.141834D+01 -0.194860D+01 -0.173734D+01  0.130876D+01
      3   0.141834D+01 -0.111904D+01  0.169157D+01  0.130876D+01 -0.266383D+01
               121           122           123           124           125 
      1  -0.215364D+01 -0.108384D+01  0.803788D+00  0.126787D+01  0.771881D+00
      2  -0.108384D+01 -0.205494D+01  0.148335D+01  0.771881D+00  0.110516D+01
      3   0.803788D+00  0.148335D+01 -0.118915D+01 -0.142478D+01 -0.732124D+00
               126           127           128           129           130 
      1  -0.142478D+01  0.457379D+01 -0.317474D+01  0.172593D+01 -0.315862D+01
      2  -0.732124D+00 -0.317474D+01  0.315022D+01 -0.111517D+01  0.277515D+01
      3   0.159588D+01  0.172593D+01 -0.111517D+01  0.176946D+01 -0.934937D+00
               131           132           133           134           135 
      1   0.277515D+01 -0.934937D+00  0.774482D+00 -0.503426D+00  0.100500D+01
      2  -0.401147D+01  0.173546D+01 -0.503426D+00  0.945623D+00 -0.697968D+00
      3   0.173546D+01 -0.128122D+01  0.100500D+01 -0.697968D+00  0.692859D+00
               136           137           138           139           140 
      1   0.946919D+00  0.406171D-01  0.123438D+01  0.736868D+00  0.742584D+00
      2   0.406171D-01  0.982087D+00  0.333299D+00  0.742584D+00  0.308008D+01
      3   0.123438D+01  0.333299D+00  0.105134D+01  0.649503D+00  0.196845D+01
               141           142           143           144           145 
      1   0.649503D+00  0.120981D+01  0.199479D+00  0.765031D+00  0.130668D+00
      2   0.196845D+01  0.199479D+00  0.203371D+01  0.179688D+01 -0.100780D+00
      3   0.343515D+01  0.765031D+00  0.179688D+01  0.386207D+01 -0.775142D+00
               146           147           148           149           150 
      1  -0.100780D+00 -0.775142D+00 -0.240863D-01  0.607883D+00 -0.245380D+00
      2   0.100118D+00  0.106969D+00  0.607883D+00  0.102505D+01 -0.114597D+01
      3   0.106969D+00 -0.419756D-01 -0.245380D+00 -0.114597D+01  0.165336D+01
               151           152           153           154           155 
      1  -0.203825D+01 -0.315236D+00  0.166405D+01  0.126659D+01  0.980506D+00
      2  -0.315236D+00 -0.147869D+01  0.191272D+01  0.980506D+00  0.131555D+01
      3   0.166405D+01  0.191272D+01 -0.874644D+01  0.725770D+00  0.410237D+00
               156           157           158           159           160 
      1   0.725770D+00  0.230873D+01  0.197705D+01  0.281954D+00  0.194111D+01
      2   0.410237D+00  0.197705D+01  0.504507D+01  0.141155D+01  0.811194D+00
      3   0.322874D+00  0.281954D+00  0.141155D+01  0.177573D+01  0.550468D+00
               161           162           163           164           165 
      1   0.811194D+00  0.550468D+00  0.754381D+01 -0.285258D+01 -0.304927D-01
      2   0.218301D+01  0.147709D+01 -0.285258D+01  0.220744D+01  0.512399D-01
      3   0.147709D+01  0.104563D+01 -0.304927D-01  0.512399D-01  0.990729D+00
               166           167           168           169           170 
      1  -0.462439D+01  0.257857D+01  0.293442D+00  0.108400D+01 -0.915638D-01
      2   0.257857D+01 -0.232715D+01  0.285177D+00 -0.915638D-01  0.491197D+00
      3   0.293442D+00  0.285177D+00 -0.784552D+00  0.957131D+00 -0.267098D+00
               171 
      1   0.957131D+00
      2  -0.267098D+00
      3  -0.379433D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.280525D+01  0.224014D+01  0.997406D+00  0.273246D+01  0.208324D+01
      2  -0.708448D+01  0.734918D+00  0.105484D+01  0.159853D+01 -0.830856D+01
      3  -0.112384D+02  0.574561D+01  0.279154D+01  0.121460D+02  0.692359D+01
                 6             7             8             9            10 
      1   0.393964D+00  0.181423D+01  0.415404D+01  0.123705D+00  0.320655D+01
      2  -0.815056D+01 -0.613402D+01 -0.894418D+01  0.170191D+02  0.674067D+01
      3   0.528805D+01  0.954884D+00  0.617350D+01  0.780582D+01  0.419778D+01
                11            12            13            14            15 
      1  -0.478202D+00 -0.159877D+00 -0.415451D+00  0.316923D+01 -0.270739D+01
      2  -0.102485D+01  0.382863D+01 -0.186192D+01  0.390403D+01  0.342166D+01
      3  -0.277879D+01 -0.152735D+01  0.396199D+01 -0.561707D+01 -0.483782D+01
                16            17            18            19            20 
      1  -0.846133D-01  0.399286D+01 -0.269811D+01 -0.330196D+01  0.733937D+00
      2  -0.375051D+01  0.392612D+01 -0.328646D+01 -0.140757D+01  0.126495D+01
      3  -0.201381D+01 -0.390907D+01 -0.397057D+01  0.167710D+01 -0.458391D+01
                21            22            23            24            25 
      1  -0.113897D+01  0.567629D+00  0.688054D+00  0.877752D+00 -0.162149D+01
      2   0.138351D+01  0.467434D+01 -0.204050D+01  0.253671D+01 -0.319789D+01
      3   0.576427D+00  0.135772D+01 -0.292717D+01  0.133013D+01 -0.982464D+00
                26            27            28            29            30 
      1   0.524484D+01  0.645462D+00  0.124346D+01  0.990682D+00  0.484598D+00
      2   0.111018D+01 -0.238925D+01 -0.512890D+01  0.580404D+00 -0.490522D+01
      3   0.105041D+01  0.479770D+00 -0.708214D+01  0.252450D-01 -0.131682D+01
                31            32            33            34            35 
      1   0.265142D+01 -0.558849D+01  0.685722D+01  0.135003D+01  0.665924D+01
      2   0.569671D+01 -0.164618D+00 -0.277134D+01 -0.168987D+02 -0.287367D+01
      3   0.624594D+00  0.120858D+02 -0.237494D-01 -0.297967D+01 -0.285226D+00
                36            37            38            39            40 
      1   0.519318D+01 -0.152813D+01 -0.248010D+01  0.220709D+01 -0.181980D+01
      2   0.324036D+01  0.671099D+00  0.239901D+01  0.876374D+01  0.180341D+01
      3   0.106505D+01 -0.395718D+01 -0.145489D+02 -0.128307D+01 -0.112071D+02
                41            42            43            44            45 
      1  -0.165993D+01 -0.371878D+01  0.105523D+00  0.221640D+01 -0.143799D+01
      2   0.188838D+01  0.775786D+00  0.604746D+01  0.258711D+00 -0.521027D+01
      3  -0.107265D+02 -0.114679D+01 -0.384015D+00 -0.592697D-02  0.944631D+00
                46            47            48            49            50 
      1   0.401398D+01 -0.393403D+01 -0.956825D+00 -0.318058D+01 -0.414314D+01
      2  -0.541946D+01 -0.910909D+01  0.900943D+01 -0.752241D+01 -0.151935D+01
      3  -0.718193D+01 -0.460047D+01  0.498793D+01 -0.123582D+01  0.388874D+01
                51            52            53            54            55 
      1  -0.112802D+02 -0.134056D+01 -0.634234D+01 -0.184737D+01  0.343810D+00
      2  -0.243831D+01  0.228831D+01 -0.281911D+01  0.173680D+01  0.646095D+00
      3   0.472099D+01  0.382431D+01  0.451209D+01  0.390431D+01 -0.351118D+01
                56            57            58            59            60 
      1  -0.298546D+01  0.596337D+01 -0.292028D+01 -0.734050D+01 -0.426741D+01
      2   0.191851D+01  0.595640D+01 -0.230642D+00  0.169738D+00 -0.126763D+01
      3  -0.103382D+02 -0.167749D+01  0.151842D+01 -0.274197D+01  0.173163D+01
                61            62            63            64            65 
      1   0.641531D+01  0.429940D+01  0.476978D+01  0.366191D+00  0.116703D+01
      2  -0.190029D+01 -0.105874D+01  0.193285D+01  0.113449D+01  0.227238D+00
      3   0.592781D+00  0.360276D+01 -0.547614D+01 -0.682641D+00 -0.456822D+01
                66            67            68            69            70 
      1  -0.239260D+01  0.122995D+00  0.501494D+01 -0.101707D+02 -0.521675D+00
      2   0.500150D+01 -0.589841D+01  0.172798D+01  0.548140D+01  0.949628D+00
      3  -0.566142D+00  0.906589D+01 -0.198671D+02 -0.233052D+01  0.153779D+01
                71            72            73            74            75 
      1   0.198314D+01 -0.220437D+01  0.679455D+00 -0.384296D+00  0.146867D+00
      2   0.562233D+01  0.308571D+01  0.111506D+01 -0.119645D+00  0.365434D-01
      3  -0.233576D+01 -0.543758D+01  0.509245D+00 -0.379585D+00 -0.524406D+00
                76            77            78            79            80 
      1  -0.277595D+00 -0.164266D+01 -0.594661D+00  0.237802D+00  0.263525D+01
      2  -0.213977D+00  0.414950D+00 -0.320354D+00 -0.368546D+01 -0.266101D-02
      3   0.137507D+01  0.409152D+00 -0.240254D+00 -0.102800D+01 -0.518005D+00
                81            82            83            84            85 
      1   0.203033D+01 -0.928154D+00  0.987873D-01 -0.232893D+00 -0.145310D+00
      2   0.900033D+00 -0.244835D+01 -0.250347D+00 -0.170465D+00 -0.152714D+01
      3   0.758193D-01  0.216900D+01  0.492217D+00  0.120961D+01  0.428361D+01
                86            87            88            89            90 
      1   0.102029D+01 -0.308698D+01  0.198421D-03  0.627962D+00 -0.105884D+01
      2  -0.254940D+01 -0.294917D+01 -0.269217D+01 -0.248608D+01 -0.236069D+01
      3   0.728889D+01  0.323771D+01  0.243502D+01  0.310919D+01  0.300240D+01
                91            92            93            94            95 
      1   0.144701D+01  0.153361D+01  0.126851D+01  0.182991D+01  0.215176D+01
      2  -0.254865D+01 -0.215132D+01 -0.154051D+01 -0.230589D+01 -0.408390D+01
      3   0.691938D+01  0.850486D+01  0.782685D+00  0.119930D+02  0.164140D+02
                96            97            98            99           100 
      1  -0.431131D+00  0.118649D+01  0.158132D+01 -0.244176D+00 -0.150377D+01
      2  -0.347807D+01 -0.205301D+01 -0.227419D+01 -0.120567D+01 -0.105238D+01
      3   0.285190D+01  0.117803D+01  0.225476D+01  0.366110D+00  0.996190D+00
               101           102           103           104           105 
      1  -0.455311D+00 -0.416012D+01 -0.117679D+01 -0.403155D-01 -0.800058D+00
      2  -0.745862D+00 -0.543339D+00 -0.737938D+00  0.174608D+00  0.340878D-01
      3   0.100781D+01  0.200976D+01  0.214036D+01 -0.454293D+00  0.846786D+00
               106           107           108           109           110 
      1  -0.480435D+01  0.665028D+00 -0.107199D+02  0.111944D+01  0.242806D+01
      2  -0.345073D+01  0.117268D+00 -0.188855D+01  0.270109D+00 -0.260087D+00
      3   0.487394D+01 -0.871491D-02  0.446812D+01  0.391998D+01  0.312496D+01
               111           112           113           114           115 
      1  -0.258144D+01  0.270887D+01  0.455941D+01 -0.408040D+01 -0.240572D+01
      2   0.167479D+00 -0.267475D+00 -0.338753D+00  0.522643D+00 -0.953896D+00
      3  -0.967588D+00  0.738266D+01  0.565082D+01 -0.188621D+01 -0.363736D+01
               116           117           118           119           120 
      1  -0.305783D+01  0.289724D+01 -0.164797D+01 -0.229601D+01 -0.178261D+01
      2   0.194310D+00 -0.231465D+00  0.116007D+02  0.449278D+01 -0.347908D+01
      3  -0.271508D+01  0.201548D+01  0.948103D+01  0.280925D+01 -0.293968D+01
               121           122           123           124           125 
      1  -0.123650D+01 -0.151176D+01 -0.110303D+00 -0.530640D+00  0.214202D+01
      2   0.496858D+01  0.329115D+01 -0.194001D+01 -0.504209D+01 -0.207181D+01
      3   0.546494D+01  0.297828D+01 -0.251664D+01 -0.238953D+01 -0.154935D+01
               126           127           128           129           130 
      1   0.592929D+00 -0.291048D+01  0.423661D+01  0.161933D+01  0.320415D+01
      2   0.343757D+01 -0.472858D+01  0.298006D+01  0.231314D+01  0.420675D+01
      3   0.261082D+01 -0.136226D+01 -0.284373D+01  0.106728D-01  0.149274D+01
               131           132           133           134           135 
      1  -0.402162D+01 -0.619183D+00  0.178024D+00  0.177456D+01 -0.199876D+00
      2  -0.164447D+01 -0.131516D+01 -0.124932D+01  0.158873D+00 -0.267509D+00
      3   0.339879D+01 -0.153772D+01 -0.601504D+00 -0.103348D+01 -0.241764D+00
               136           137           138           139           140 
      1   0.100104D+01  0.245582D+01  0.104736D+01  0.166461D+01  0.992630D+01
      2   0.917631D-01  0.454986D+00  0.452453D+00 -0.144313D+01  0.197695D+01
      3  -0.424049D-01 -0.245128D+01 -0.128185D+01  0.754375D-01 -0.615912D+01
               141           142           143           144           145 
      1   0.511687D+01  0.918450D+00  0.798309D+01  0.608997D+01  0.173069D+00
      2   0.431826D+01 -0.250292D+01  0.215741D+01  0.403881D+01 -0.241866D+01
      3  -0.334165D+01 -0.498335D+00 -0.354686D+01 -0.312502D+01  0.275930D+00
               146           147           148           149           150 
      1   0.633254D-01 -0.117415D+00 -0.313526D+00 -0.129139D+01 -0.440432D+00
      2  -0.818817D-01  0.299722D+00  0.504204D-02 -0.208438D+01  0.447519D+01
      3  -0.928235D+00 -0.240174D+00 -0.342819D+00 -0.278619D+01  0.267215D+01
               151           152           153           154           155 
      1  -0.673061D-01  0.358184D+01  0.803907D+00 -0.105028D+01 -0.123948D+01
      2  -0.103402D+01  0.478870D+01 -0.215794D+02  0.313336D+01  0.180018D+01
      3  -0.287666D+00  0.416299D+01 -0.495766D+01 -0.302743D+01 -0.401133D+01
               156           157           158           159           160 
      1  -0.917706D+00 -0.135592D+01 -0.389157D+01 -0.397558D+01 -0.789444D+00
      2   0.214202D+01  0.167800D+01  0.620111D+01  0.623051D+01  0.862223D+00
      3  -0.775912D+00 -0.197417D+01 -0.154281D+02 -0.465866D+01 -0.593819D+00
               161           162           163           164           165 
      1  -0.890775D+00 -0.224129D+01  0.208201D+01 -0.169512D+01  0.705910D+00
      2   0.482819D+01  0.395367D+01  0.588727D+01 -0.239303D+01  0.493992D+01
      3  -0.708357D+01 -0.422085D+01  0.790536D+01 -0.915609D+01  0.148504D-01
               166           167           168           169           170 
      1  -0.169391D+01  0.180120D+01 -0.167328D+01 -0.573516D-02  0.228663D+00
      2  -0.262244D+01  0.298501D+01 -0.316563D+01  0.223489D+01 -0.664318D+00
      3  -0.596003D+01  0.770203D+01 -0.110687D+01 -0.592737D-03 -0.187465D+01
               171 
      1   0.222440D+00
      2   0.218789D-01
      3   0.691273D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.942606D+01  0.229835D+02 -0.111291D+02  0.275844D+02 -0.150668D+02
      2   0.188468D+01 -0.127694D+02  0.521447D+01 -0.151705D+02  0.216615D+01
      3   0.754138D+01 -0.102141D+02  0.591465D+01 -0.124139D+02  0.129007D+02
      4   0.249492D+02 -0.134419D+02 -0.487162D+01 -0.189780D+02 -0.105489D+02
      5  -0.101708D+02 -0.779876D+01  0.422163D+01 -0.926185D+01 -0.954156D+01
      6  -0.456275D+01  0.181119D+01  0.212770D+00  0.147265D+01 -0.936995D+00
                 6             7             8             9            10 
      1  -0.786313D+01 -0.133717D+02 -0.567001D+01  0.112719D+02 -0.577730D+01
      2  -0.260968D+01  0.355578D+01 -0.449919D+01  0.680869D+01  0.142088D+01
      3   0.104728D+02  0.981590D+01  0.101692D+02 -0.180806D+02  0.435642D+01
      4  -0.110057D+02 -0.401593D+01 -0.124018D+02 -0.120789D+02 -0.106483D+02
      5  -0.120725D+02  0.593213D+00 -0.128660D+02  0.255326D+02  0.100890D+02
      6  -0.354082D+00 -0.110154D+01 -0.448361D+00  0.562987D+01 -0.423438D+01
                11            12            13            14            15 
      1  -0.934271D+01  0.926950D+01 -0.132176D+02  0.947365D+01  0.660985D+01
      2   0.427237D+01 -0.629416D+01  0.731396D+01 -0.796759D+01 -0.927839D+01
      3   0.507034D+01 -0.297535D+01  0.590360D+01 -0.150606D+01  0.266855D+01
      4   0.417195D+01  0.184501D+01  0.892551D+01  0.528261D+01  0.512293D+01
      5   0.356320D+01 -0.108654D+01  0.627534D+01  0.564413D+01  0.655728D+01
      6   0.906877D+00 -0.810212D+00  0.684068D+00 -0.966065D+01 -0.357211D+01
                16            17            18            19            20 
      1   0.119866D+02  0.500317D+01  0.466824D+01 -0.712331D+01 -0.794341D+00
      2  -0.587746D+01 -0.395549D+01 -0.477184D+01  0.881911D+01  0.767914D+00
      3  -0.610916D+01 -0.104768D+01  0.103597D+00 -0.169580D+01  0.264269D-01
      4   0.383263D+01  0.507544D+01  0.785133D+01 -0.477881D+00  0.327608D+01
      5  -0.324511D+00  0.781337D+01 -0.897830D+01 -0.198177D+01 -0.369522D+00
      6   0.463840D+00 -0.548229D+01  0.897642D+00  0.300108D+01 -0.214317D+01
                21            22            23            24            25 
      1  -0.198774D+00  0.596884D+01  0.321762D+01 -0.160407D+01 -0.412138D+01
      2   0.197096D+01 -0.230145D+01 -0.549744D+01 -0.271925D+01  0.273005D+01
      3  -0.177218D+01 -0.366739D+01  0.227982D+01  0.432332D+01  0.139133D+01
      4   0.824215D+00 -0.650749D+01  0.504867D+01  0.635705D+00 -0.398782D+01
      5   0.659389D+00 -0.270244D+01  0.481746D+00  0.277297D+01 -0.968295D+00
      6   0.941197D+00 -0.784567D+00  0.899284D+00 -0.486977D+01 -0.561182D+00
                26            27            28            29            30 
      1  -0.145828D+01  0.950730D+01 -0.718248D+01  0.106502D+02  0.216570D+01
      2  -0.803692D+01  0.771486D+01  0.921030D+00 -0.814688D+01 -0.605461D+01
      3   0.949520D+01 -0.172222D+02  0.626145D+01 -0.250331D+01  0.388891D+01
      4   0.324532D+00  0.349192D+00  0.587282D+01 -0.853342D+01 -0.308998D+01
      5  -0.110793D+01  0.676782D+00  0.366697D+01 -0.336779D+01 -0.753082D+01
      6  -0.308812D+01  0.892887D+01 -0.167480D+01 -0.210699D+01 -0.107870D+01
                31            32            33            34            35 
      1   0.132885D+01  0.821503D+01  0.339448D+01  0.367511D+01 -0.809772D+00
      2  -0.387382D+01 -0.179450D+02  0.440031D+01 -0.457075D+01 -0.293818D+01
      3   0.254496D+01  0.972998D+01 -0.779479D+01  0.895634D+00  0.374795D+01
      4  -0.186280D+02 -0.235466D+02 -0.567547D+01 -0.968082D+01 -0.274229D+01
      5  -0.931685D+01 -0.752737D+01 -0.533877D+01 -0.487392D+00 -0.395097D+01
      6  -0.330587D+01 -0.891612D+01 -0.110718D+02 -0.302647D+01  0.132258D+01
                36            37            38            39            40 
      1  -0.375996D+01  0.492007D+02 -0.673318D+01 -0.511942D+01  0.650161D+01
      2  -0.306116D+01 -0.291181D+02  0.804151D+00  0.627989D+01 -0.740612D+01
      3   0.682112D+01 -0.200827D+02  0.592902D+01 -0.116047D+01  0.904510D+00
      4  -0.487042D+01 -0.166188D+02  0.164060D+02  0.245803D+01  0.164358D+02
      5   0.379304D+01 -0.923317D+01  0.171247D+01  0.161475D+02  0.272678D+00
      6  -0.731063D+01 -0.645330D+00 -0.504485D+00 -0.297504D+01 -0.166325D+01
                41            42            43            44            45 
      1   0.112582D+02 -0.392744D+00 -0.350459D+01  0.250181D+01  0.587048D+01
      2  -0.435435D+01 -0.150235D+01  0.318866D+01 -0.156214D+01 -0.982724D+01
      3  -0.690387D+01  0.189510D+01  0.315928D+00 -0.939668D+00  0.395675D+01
      4  -0.518996D+00 -0.529802D+00  0.415654D+01 -0.824090D+00 -0.334534D+01
      5  -0.439967D+00 -0.862140D+00  0.151031D+02 -0.373274D+01 -0.115910D+02
      6  -0.102760D+01  0.634926D+01 -0.116313D+01  0.468802D+01  0.174106D+01
                46            47            48            49            50 
      1   0.806094D+01  0.134835D+02 -0.879318D+01  0.128651D+02 -0.256044D+01
      2  -0.931949D+01 -0.302435D-01  0.486322D+01  0.618604D+00  0.533286D+01
      3   0.125855D+01 -0.134532D+02  0.392996D+01 -0.134837D+02 -0.277242D+01
      4   0.114676D+02 -0.167527D+02  0.565409D+01 -0.172592D+02  0.347208D+01
      5  -0.550009D+01  0.919483D+01 -0.565825D+01  0.783561D+01 -0.120091D+02
      6   0.158686D+02 -0.488116D+01 -0.340818D+01 -0.536796D+01  0.153460D+01
                51            52            53            54            55 
      1   0.292563D+01 -0.770510D+01  0.205319D+01 -0.621883D+01  0.155045D+02
      2   0.121556D+02  0.398885D+01  0.936179D+01  0.155415D+01 -0.116125D+02
      3  -0.150812D+02  0.371625D+01 -0.114150D+02  0.466468D+01 -0.389196D+01
      4  -0.804545D+01  0.303133D+01 -0.546905D+01 -0.901529D+01 -0.259898D+01
      5  -0.100945D+02 -0.607003D+01 -0.105693D+02  0.593736D+01 -0.111766D+01
      6  -0.747193D+01 -0.352638D+01 -0.477061D+01 -0.110703D+02 -0.617170D+00
                56            57            58            59            60 
      1   0.784353D+01  0.221339D+00  0.468848D+01 -0.898377D+01 -0.620024D+01
      2  -0.141873D+02  0.343225D+01 -0.111288D+02  0.114625D+02  0.962324D+01
      3   0.634381D+01 -0.365359D+01  0.644030D+01 -0.247874D+01 -0.342299D+01
      4  -0.196489D+01 -0.117722D+01  0.319495D+01 -0.124998D+02  0.472661D+00
      5   0.848071D-01  0.273656D+01  0.547842D+00 -0.280663D+00 -0.240430D+01
      6   0.169740D+01 -0.837211D+01  0.181924D+01  0.117473D+02  0.573535D+01
                61            62            63            64            65 
      1  -0.221849D+01 -0.677948D+01  0.911732D+00  0.108402D+02  0.541598D+01
      2   0.634307D+01  0.131914D+02  0.552770D+00 -0.247440D+01  0.138719D+01
      3  -0.412459D+01 -0.641189D+01 -0.146450D+01 -0.836577D+01 -0.680317D+01
      4   0.449453D+00  0.138650D+01 -0.788902D+01  0.159217D+02  0.189093D+02
      5   0.316061D+01 -0.178642D+01 -0.371445D+01  0.673547D+01  0.565355D+01
      6  -0.846760D+01  0.176699D+01 -0.468129D+01  0.344122D+01  0.313713D+01
                66            67            68            69            70 
      1   0.113402D+01  0.925106D+01 -0.214621D+02 -0.629621D+01  0.303516D+01
      2  -0.973394D+00  0.902871D+00  0.397153D+02  0.176900D+01 -0.100033D+01
      3  -0.160628D+00 -0.101539D+02 -0.182532D+02  0.452721D+01 -0.203483D+01
      4   0.478963D+01  0.239622D+02  0.448344D+02  0.944074D+01  0.547936D+01
      5   0.948706D+01  0.662515D+01  0.112855D+02  0.115751D+02  0.101796D+02
      6   0.431102D+01  0.533339D+01  0.134168D+02  0.172357D+02  0.506486D+01
                71            72            73            74            75 
      1  -0.477219D+01 -0.610904D+01  0.867025D+00  0.620568D+00 -0.246783D+00
      2   0.271661D+01  0.357448D+00 -0.361269D+01 -0.524675D+00 -0.349891D+00
      3   0.205559D+01  0.575159D+01  0.274567D+01 -0.958925D-01  0.596674D+00
      4   0.684418D+01  0.123903D+02 -0.221436D+00  0.157753D+01 -0.179412D+01
      5   0.126185D+02  0.103279D+02  0.188478D+00 -0.122442D+01  0.510253D+01
      6   0.142347D+02  0.968438D+01 -0.203015D+01  0.760981D+00 -0.349082D-01
                76            77            78            79            80 
      1   0.153575D+00 -0.517021D+01  0.342669D+01  0.630659D+00  0.536224D+01
      2   0.294781D+00  0.177878D+01 -0.645964D+00  0.340510D+00  0.366273D+00
      3  -0.448356D+00  0.339143D+01 -0.278073D+01 -0.971169D+00 -0.572851D+01
      4   0.252011D+01 -0.966812D+00  0.396980D+00 -0.515044D+00  0.885981D+00
      5  -0.483043D+00 -0.523988D-01 -0.435659D+00  0.533494D+01  0.185201D+00
      6   0.815974D+00 -0.412502D+01  0.812406D+01  0.347675D+00  0.768842D+01
                81            82            83            84            85 
      1  -0.181201D+02 -0.783697D+00 -0.125877D+01 -0.282425D+01 -0.298755D+01
      2  -0.126893D+02  0.230658D+01  0.104306D+01  0.196612D+01  0.222854D+01
      3   0.308094D+02 -0.152288D+01  0.215703D+00  0.858134D+00  0.759010D+00
      4  -0.488135D+00 -0.477315D+00  0.276187D+01  0.130436D+01  0.245552D+01
      5   0.100109D+01 -0.206661D+01  0.117036D+01  0.180125D+01  0.111575D+01
      6  -0.131967D+02  0.292546D+01  0.619714D+00  0.764469D+00  0.617039D+00
                86            87            88            89            90 
      1  -0.132174D+02 -0.510433D+01 -0.416317D+01 -0.601712D+01 -0.710081D+01
      2   0.175800D+02  0.643597D+01  0.226252D+01  0.443996D+01  0.229488D+01
      3  -0.436258D+01 -0.133164D+01  0.190065D+01  0.157716D+01  0.480594D+01
      4  -0.110567D+02 -0.439186D+01  0.262462D+00 -0.471183D+01 -0.418463D+01
      5  -0.434974D+01 -0.597214D+01  0.257201D+01 -0.448094D+01 -0.393961D+01
      6   0.119194D+02  0.977197D+01  0.903775D+00  0.100267D+02  0.904725D+01
                91            92            93            94            95 
      1  -0.113123D+02 -0.440567D+01 -0.397899D-02 -0.168632D+02 -0.597686D+01
      2   0.101478D+02  0.146019D+01  0.996090D-01  0.988203D+01  0.852926D+01
      3   0.116444D+01  0.294548D+01 -0.956300D-01  0.698120D+01 -0.255240D+01
      4  -0.400845D+01  0.479988D+00  0.268595D-01  0.641658D+01 -0.158906D+02
      5   0.711990D+00  0.523472D+00 -0.133811D+01  0.281879D+01 -0.303170D+01
      6   0.942833D+00 -0.371904D+00 -0.185553D+01 -0.656117D+00  0.290251D+01
                96            97            98            99           100 
      1  -0.945433D-01 -0.171240D+01 -0.135914D+01 -0.710101D+00 -0.157410D+01
      2   0.637944D+00  0.136270D+01  0.120179D+01 -0.383438D+00  0.113246D+01
      3  -0.543400D+00  0.349703D+00  0.157353D+00  0.109354D+01  0.441643D+00
      4  -0.403036D+01  0.969495D+00 -0.322536D+01 -0.326212D+01  0.221009D+01
      5  -0.532668D+01  0.340460D+01 -0.278707D+01 -0.279724D+01  0.129033D+01
      6   0.192415D+01 -0.173038D+01  0.277224D+01  0.174610D+01  0.388695D+01
               101           102           103           104           105 
      1  -0.172422D+01 -0.196266D+01  0.847739D+00 -0.290689D+01 -0.763165D+00
      2   0.241725D+01  0.978784D-01 -0.746647D+00  0.338920D+01  0.925820D+00
      3  -0.693032D+00  0.186478D+01 -0.101092D+00 -0.482310D+00 -0.162654D+00
      4   0.290349D+01  0.323033D+01  0.219974D+01  0.199451D+01  0.144278D+01
      5   0.184298D+01  0.286055D+01  0.184990D+01  0.268720D+00  0.162335D+01
      6   0.214735D+01  0.650281D+01  0.111563D+01  0.237923D+01  0.288490D+01
               106           107           108           109           110 
      1  -0.168725D+01 -0.414595D+01 -0.783045D+01 -0.184577D+01 -0.671661D+01
      2  -0.164184D+01  0.458509D+01 -0.389851D+01  0.598846D+01  0.138594D+02
      3   0.332908D+01 -0.439137D+00  0.117290D+02 -0.414269D+01 -0.714275D+01
      4   0.582542D+01  0.221160D+01  0.505389D+01  0.491439D+01  0.907410D+01
      5   0.327453D+01  0.126970D+01  0.459244D+01 -0.127461D+01 -0.109853D+01
      6   0.584693D+01  0.554092D+01  0.159229D+02 -0.248812D+01 -0.341395D+01
               111           112           113           114           115 
      1   0.546002D+00 -0.523194D+01 -0.162770D+02  0.347319D+01  0.230660D+01
      2  -0.254493D+01  0.107306D+02  0.307842D+02 -0.684889D+01 -0.412343D+01
      3   0.199892D+01 -0.549862D+01 -0.145072D+02  0.337570D+01  0.181684D+01
      4  -0.184397D+01  0.896506D+01  0.105726D+02 -0.297395D+01 -0.316313D+01
      5   0.190123D+01  0.280805D-01 -0.127029D+01  0.809199D+00  0.177790D+01
      6   0.316164D+01 -0.342599D+01 -0.841585D+01  0.629496D+01  0.378581D+01
               116           117           118           119           120 
      1   0.733074D+01 -0.467400D+01 -0.940720D+01 -0.919748D+01  0.107041D+02
      2  -0.120434D+02  0.564948D+01  0.525973D+01  0.626133D+01 -0.881753D+00
      3   0.471264D+01 -0.975479D+00  0.414747D+01  0.293615D+01 -0.982238D+01
      4  -0.421306D+01  0.323651D+01  0.721611D+01  0.405975D+01 -0.229492D+01
      5   0.143120D+01 -0.955748D+00 -0.954102D+01 -0.389826D+01  0.302092D+01
      6   0.937565D+01 -0.611523D+01 -0.777599D+01 -0.799684D+01  0.865470D+01
               121           122           123           124           125 
      1  -0.788143D+01 -0.853156D+01  0.636804D+01  0.684825D+01  0.509931D+01
      2   0.523536D+01  0.764825D+01 -0.343127D+01 -0.576237D+00 -0.251449D+01
      3   0.264608D+01  0.883301D+00 -0.293677D+01 -0.627201D+01 -0.258482D+01
      4   0.569209D+01  0.822484D+00  0.167523D+00 -0.202634D+01 -0.482340D+00
      5  -0.472715D+01 -0.459684D+00  0.143333D+01  0.503359D+01  0.221419D+01
      6  -0.494635D+01 -0.849534D+01  0.805619D+01  0.573061D+01  0.677076D+01
               126           127           128           129           130 
      1  -0.798015D+01  0.163521D+02 -0.667488D+01  0.176290D+01 -0.718548D+01
      2  -0.538203D+00 -0.403458D+01 -0.320160D+01 -0.303395D+01 -0.254566D+01
      3   0.851835D+01 -0.123175D+02  0.987648D+01  0.127105D+01  0.973114D+01
      4   0.277085D+01 -0.222402D+02  0.199554D+02 -0.766473D+01  0.189465D+02
      5  -0.286960D+01  0.165639D+02 -0.113938D+02  0.118571D+02 -0.108767D+02
      6  -0.593301D+01 -0.105027D+02  0.106165D+02 -0.704228D+01  0.871236D+01
               131           132           133           134           135 
      1  -0.615353D+00  0.143107D+01  0.403047D+00  0.886104D+00  0.459369D+00
      2   0.102308D+02 -0.142783D+01 -0.197748D+01 -0.134039D+00 -0.152427D+01
      3  -0.961541D+01 -0.323776D-02  0.157443D+01 -0.752064D+00  0.106491D+01
      4  -0.210546D+02  0.757182D+01 -0.354071D+01  0.403779D+01 -0.505178D+01
      5   0.110368D+02 -0.694058D+01  0.811386D+01 -0.481101D+01  0.522159D+01
      6  -0.130935D+02  0.958379D+01 -0.482868D+01  0.710614D+01 -0.402826D+01
               136           137           138           139           140 
      1   0.173608D+01  0.544923D+00  0.229675D+01  0.225307D+01 -0.175824D+01
      2  -0.344551D+01 -0.221346D+01 -0.470976D+01 -0.386424D+01 -0.418909D+01
      3   0.170943D+01  0.166854D+01  0.241301D+01  0.161117D+01  0.594733D+01
      4   0.101149D+01  0.519820D+01  0.714407D+00  0.446335D+01  0.788176D+01
      5   0.611973D+01  0.213771D+01  0.818191D+01  0.537808D+01  0.801337D+01
      6   0.198440D+00  0.317817D+01  0.132180D+01  0.252938D+01  0.109916D+02
               141           142           143           144           145 
      1  -0.543802D+01  0.214084D+01 -0.309423D+01 -0.724413D+01  0.118486D+01
      2  -0.956334D+01 -0.441741D+01 -0.626563D+01 -0.126785D+02 -0.291971D+01
      3   0.150014D+02  0.227657D+01  0.935986D+01  0.199226D+02  0.173485D+01
      4   0.558081D+01  0.304591D+00  0.502545D+01  0.501616D+01 -0.783723D+00
      5   0.118094D+02  0.752633D+01  0.609677D+01  0.128354D+02 -0.357358D+01
      6   0.740141D+01  0.120303D+01  0.867335D+01  0.636899D+01 -0.674152D+00
               146           147           148           149           150 
      1  -0.640998D+00 -0.516756D+01 -0.646449D+00 -0.756093D+00  0.273637D+01
      2   0.363407D+00  0.244073D+01 -0.107169D+00 -0.624260D+00  0.167871D+01
      3   0.277591D+00  0.272683D+01  0.753618D+00  0.138035D+01 -0.441508D+01
      4   0.223723D+01 -0.935789D+00  0.484772D+01  0.497181D+01 -0.521927D+01
      5  -0.684796D+00  0.576598D+01 -0.199994D+01 -0.499855D+01  0.851747D+01
      6   0.395643D-02  0.257537D+00 -0.128526D+01 -0.333701D+01  0.751061D+01
               151           152           153           154           155 
      1  -0.860146D+01  0.289785D+01 -0.127042D+02  0.922360D+01  0.485759D+01
      2   0.830171D+01  0.160187D+01 -0.183929D+02 -0.169223D+01 -0.520128D-02
      3   0.299748D+00 -0.449971D+01  0.310970D+02 -0.753136D+01 -0.485238D+01
      4  -0.286101D+01 -0.704782D+01  0.815227D+01  0.628192D+01  0.115418D+02
      5   0.144648D+02  0.887251D+01 -0.417647D+02  0.329856D+01  0.287610D+01
      6   0.106392D+01  0.761185D+01 -0.799647D+01  0.115698D+01 -0.469327D+00
               156           157           158           159           160 
      1   0.399023D+01  0.108667D+02  0.519049D+01  0.155952D+01  0.103365D+02
      2  -0.109420D+01 -0.238754D+01  0.935499D+01  0.330434D+01 -0.420826D+01
      3  -0.289603D+01 -0.847920D+01 -0.145455D+02 -0.486386D+01 -0.612819D+01
      4   0.381176D+01  0.162572D+02  0.285739D+02  0.783597D+01  0.678652D+01
      5   0.295569D+01  0.188776D+01  0.756658D+01  0.102135D+02  0.408843D+01
      6   0.479732D+00 -0.279968D+00  0.506455D+00  0.357238D+01  0.134603D+01
               161           162           163           164           165 
      1   0.282272D+01 -0.122029D+00  0.538825D+02 -0.188223D+02  0.833614D+00
      2   0.286852D+01 -0.110625D+00 -0.258617D+02  0.839829D+01  0.832283D+00
      3  -0.569124D+01  0.232654D+00 -0.280208D+02  0.104240D+02 -0.166590D+01
      4   0.121297D+02  0.787012D+01 -0.217038D+02  0.170937D+02  0.449304D+00
      5   0.823540D+01  0.641666D+01 -0.609630D+01  0.251200D+01  0.832931D+01
      6   0.317723D+01  0.238005D+01  0.378398D+01 -0.299143D+01 -0.103070D+01
               166           167           168           169           170 
      1  -0.283402D+02  0.132921D+02  0.874527D+00  0.698354D+01 -0.808031D+00
      2   0.124138D+02 -0.212326D+01 -0.989736D+00 -0.241991D+01  0.659117D+00
      3   0.159264D+02 -0.111689D+02  0.115209D+00 -0.456364D+01  0.148914D+00
      4   0.204055D+02 -0.173055D+02  0.131276D+01 -0.130701D+01  0.319649D+01
      5   0.473299D+01 -0.335812D+00 -0.586426D+01  0.753799D+01 -0.257802D+01
      6  -0.327553D+01  0.314652D+01  0.230985D+01 -0.128470D+01  0.198732D+01
               171 
      1   0.360813D+01
      2  -0.333298D+01
      3  -0.275159D+00
      4  -0.250492D+01
      5  -0.161534D+01
      6  -0.579573D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.207038D+01      0.526237D+01      0.175534D+02
   x          0.154786D+01      0.393428D+01      0.131233D+02
   y          0.136513D+01      0.346982D+01      0.115741D+02
   z          0.164283D+00      0.417565D+00      0.139285D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.740617D+02      0.109748D+02      0.122111D+02
   aniso      0.132828D+02      0.196831D+01      0.219004D+01
   xx         0.807011D+02      0.119587D+02      0.133058D+02
   yx        -0.457665D-02     -0.678190D-03     -0.754588D-03
   yy         0.752912D+02      0.111570D+02      0.124138D+02
   zx        -0.185131D+01     -0.274336D+00     -0.305240D+00
   zy         0.127550D+01      0.189009D+00      0.210301D+00
   zz         0.661928D+02      0.980876D+01      0.109137D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.775612D+02      0.114934D+02      0.127881D+02
   aniso      0.137041D+02      0.203073D+01      0.225949D+01
   xx         0.843152D+02      0.124942D+02      0.139017D+02
   yx         0.664055D-01      0.984029D-02      0.109488D-01
   yy         0.789535D+02      0.116997D+02      0.130177D+02
   zx        -0.189115D+01     -0.280239D+00     -0.311808D+00
   zy         0.143563D+01      0.212739D+00      0.236704D+00
   zz         0.694149D+02      0.102862D+02      0.114450D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          3.03710086         -1.09842908          3.53932826
     6          1.71661404         -1.29760070          0.98095161
     6          0.22880301          1.12916899          0.37949233
     6         -0.66596329          1.14697422         -2.39244329
     8         -2.98841012          2.08991917         -2.71344322
     6          0.05751645         -3.65876329          0.82536092
     7         -1.91474647          1.69486481          2.05255782
     8          0.62535381          0.43068347         -4.11637230
     1          1.53851496          2.72335584          0.50867969
     1          3.14909156         -1.43991957         -0.49640871
     1         -3.57907889          2.50532414         -0.99789162
     1         -2.71854940          0.09691596          2.73392447
     1         -1.40008244          2.77425213          3.54056080
     1         -0.85478408         -3.82277760         -1.01540975
     1          1.19735469         -5.35165741          1.11392006
     1         -1.40774856         -3.67449984          2.28451712
     1          4.27801417          0.54925867          3.62055300
     1          1.67381743         -0.94532920          5.08403066
     1          4.18668751         -2.77189868          3.89800763

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.207038D+01      0.526237D+01      0.175534D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.207038D+01      0.526237D+01      0.175534D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.740617D+02      0.109748D+02      0.122111D+02
   aniso      0.132828D+02      0.196831D+01      0.219004D+01
   xx         0.736711D+02      0.109169D+02      0.121467D+02
   yx        -0.590766D+01     -0.875425D+00     -0.974041D+00
   yy         0.703470D+02      0.104243D+02      0.115987D+02
   zx         0.277889D+01      0.411789D+00      0.458177D+00
   zy        -0.886233D+00     -0.131326D+00     -0.146120D+00
   zz         0.781671D+02      0.115832D+02      0.128880D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.775612D+02      0.114934D+02      0.127881D+02
   aniso      0.137041D+02      0.203073D+01      0.225949D+01
   xx         0.771830D+02      0.114373D+02      0.127258D+02
   yx        -0.610299D+01     -0.904369D+00     -0.100625D+01
   yy         0.736190D+02      0.109092D+02      0.121381D+02
   zx         0.272197D+01      0.403355D+00      0.448793D+00
   zy        -0.877406D+00     -0.130018D+00     -0.144665D+00
   zz         0.818817D+02      0.121336D+02      0.135005D+02

 ----------------------------------------------------------------------
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 MEN HAVE BECOME THE TOOLS OF THEIR TOOLS... THOREAU   
 Job cpu time:       0 days  2 hours 32 minutes  3.1 seconds.
 Elapsed time:       0 days  0 hours 19 minutes  2.3 seconds.
 File lengths (MBytes):  RWF=    228 Int=      0 D2E=      0 Chk=      8 Scr=      2
 Normal termination of Gaussian 16 at Fri Aug 13 11:06:12 2021.
